USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 973 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 95 THR OG1 : rot 100:sc= 0.954 USER MOD Set 1.2: A 128 ASN : amide:sc= -0.104 K(o=0.85,f=-1.7!) USER MOD Set 2.1: A 78 TYR OH : rot 74:sc= 1.16 USER MOD Set 2.2: A 94 TYR OH : rot -54:sc= 2.15 USER MOD Set 3.1: A 34 GLN : amide:sc= 0.127 K(o=-0.42,f=-2.1) USER MOD Set 3.2: A 38 ASN : amide:sc= -0.549 K(o=-0.42,f=-2.1!) USER MOD Set 4.1: A 36 TYR OH : rot -166:sc= 0.918 USER MOD Set 4.2: A 49 SER OG : rot 180:sc= 0.977 USER MOD Set 5.1: A 11 HIS : no HE2:sc= 0.304 K(o=1.6,f=-11!) USER MOD Set 5.2: A 123 TYR OH : rot -145:sc= 1.25 USER MOD Single : A 1 GLN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0523 K(o=-0.052,f=-2.5!) USER MOD Single : A 3 SER OG : rot -30:sc= 1.67 USER MOD Single : A 5 GLN : amide:sc= -0.0282 X(o=-0.028,f=-0.04) USER MOD Single : A 7 TYR OH : rot -131:sc= 0.297 USER MOD Single : A 12 ASN : amide:sc= 0.236 K(o=0.24,f=-6!) USER MOD Single : A 17 GLN : amide:sc= 0.697 K(o=0.7,f=-0.75) USER MOD Single : A 23 MET CE :methyl 155:sc= -0.628 (180deg=-0.862) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 31 SER OG : rot -50:sc= 0.785 USER MOD Single : A 35 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 39 SER OG : rot 76:sc= 1.14 USER MOD Single : A 45 ASN : amide:sc= -0.777 X(o=-0.78,f=-0.43) USER MOD Single : A 48 HIS : +bothHN:sc= -5.76 K(o=-5.8,f=-9.2!) USER MOD Single : A 54 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.4) USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 0.0748 (180deg=0.0651) USER MOD Single : A 63 THR OG1 : rot 153:sc= 0.729 USER MOD Single : A 69 GLN : amide:sc=-0.00737 K(o=-0.0074,f=-0.83) USER MOD Single : A 73 SER OG : rot 180:sc= -0.287 USER MOD Single : A 77 SER OG : rot -0:sc= 0.915 USER MOD Single : A 79 ASN :FLIP amide:sc= 0.0138 F(o=-1.2,f=0.014) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 109:sc= 1.04 USER MOD Single : A 83 ASN : amide:sc= 1.28 K(o=1.3,f=-6.3!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.028) USER MOD Single : A 96 GLN : amide:sc= 0.0724 K(o=0.072,f=-3.2!) USER MOD Single : A 101 ASN : amide:sc= -0.0387 K(o=-0.039,f=-0.98) USER MOD Single : A 102 SER OG : rot 26:sc= -0.0759 USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 114 ASN : amide:sc= 0.265 X(o=0.26,f=-0.019) USER MOD Single : A 120 SER OG : rot -101:sc= 0.00686 USER MOD Single : A 122 ASN : amide:sc= -0.272 K(o=-0.27,f=-6.4!) USER MOD Single : A 132 GLN : amide:sc= -0.505 K(o=-0.5,f=-3.2!) USER MOD Single : A 135 TYR OH : rot 38:sc= 0.78 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -4.420 10.432 6.449 1.00 2.47 N ATOM 2 CA GLN A 1 -5.119 9.503 5.550 1.00 1.32 C ATOM 3 C GLN A 1 -4.122 8.437 5.084 1.00 1.00 C ATOM 4 O GLN A 1 -3.833 8.297 3.890 1.00 1.11 O ATOM 5 CB GLN A 1 -5.830 10.263 4.419 1.00 0.92 C ATOM 6 CG GLN A 1 -7.192 10.824 4.878 1.00 1.91 C ATOM 7 CD GLN A 1 -7.429 12.283 4.495 1.00 2.56 C ATOM 8 OE1 GLN A 1 -7.812 13.104 5.324 1.00 3.57 O ATOM 9 NE2 GLN A 1 -7.200 12.656 3.245 1.00 2.97 N ATOM 0 H1 GLN A 1 -5.083 11.164 6.776 1.00 2.47 H new ATOM 0 H2 GLN A 1 -4.050 9.910 7.268 1.00 2.47 H new ATOM 0 H3 GLN A 1 -3.632 10.881 5.940 1.00 2.47 H new ATOM 0 HA GLN A 1 -5.923 8.981 6.069 1.00 1.32 H new ATOM 0 HB2 GLN A 1 -5.196 11.081 4.076 1.00 0.92 H new ATOM 0 HB3 GLN A 1 -5.978 9.596 3.570 1.00 0.92 H new ATOM 0 HG2 GLN A 1 -7.987 10.214 4.449 1.00 1.91 H new ATOM 0 HG3 GLN A 1 -7.266 10.728 5.961 1.00 1.91 H new ATOM 0 HE21 GLN A 1 -6.882 11.972 2.559 1.00 2.97 H new ATOM 0 HE22 GLN A 1 -7.342 13.628 2.969 1.00 2.97 H new ATOM 20 N ASN A 2 -3.555 7.696 6.041 1.00 1.20 N ATOM 21 CA ASN A 2 -2.601 6.632 5.748 1.00 1.57 C ATOM 22 C ASN A 2 -2.749 5.480 6.736 1.00 1.63 C ATOM 23 O ASN A 2 -3.444 4.528 6.393 1.00 3.17 O ATOM 24 CB ASN A 2 -1.184 7.170 5.525 1.00 2.35 C ATOM 25 CG ASN A 2 -0.496 7.829 6.713 1.00 2.31 C ATOM 26 OD1 ASN A 2 0.096 7.163 7.555 1.00 3.41 O ATOM 27 ND2 ASN A 2 -0.496 9.153 6.742 1.00 2.08 N ATOM 0 H ASN A 2 -3.746 7.819 7.035 1.00 1.20 H new ATOM 0 HA ASN A 2 -2.840 6.186 4.783 1.00 1.57 H new ATOM 0 HB2 ASN A 2 -0.558 6.344 5.187 1.00 2.35 H new ATOM 0 HB3 ASN A 2 -1.222 7.895 4.712 1.00 2.35 H new ATOM 0 HD21 ASN A 2 0.006 9.647 7.480 1.00 2.08 H new ATOM 0 HD22 ASN A 2 -0.998 9.679 6.027 1.00 2.08 H new ATOM 34 N SER A 3 -2.234 5.568 7.964 1.00 1.27 N ATOM 35 CA SER A 3 -2.582 4.637 9.039 1.00 0.98 C ATOM 36 C SER A 3 -2.370 3.170 8.602 1.00 1.19 C ATOM 37 O SER A 3 -1.604 2.915 7.666 1.00 2.17 O ATOM 38 CB SER A 3 -4.030 4.967 9.451 1.00 0.95 C ATOM 39 OG SER A 3 -4.969 4.260 8.665 1.00 2.67 O ATOM 0 H SER A 3 -1.565 6.286 8.241 1.00 1.27 H new ATOM 0 HA SER A 3 -1.930 4.752 9.905 1.00 0.98 H new ATOM 0 HB2 SER A 3 -4.175 4.719 10.503 1.00 0.95 H new ATOM 0 HB3 SER A 3 -4.203 6.038 9.349 1.00 0.95 H new ATOM 0 HG SER A 3 -4.593 4.096 7.775 1.00 2.67 H new ATOM 45 N PRO A 4 -3.026 2.202 9.260 1.00 0.78 N ATOM 46 CA PRO A 4 -3.273 0.889 8.708 1.00 0.83 C ATOM 47 C PRO A 4 -4.623 0.878 7.974 1.00 0.54 C ATOM 48 O PRO A 4 -4.711 0.522 6.797 1.00 0.48 O ATOM 49 CB PRO A 4 -3.248 -0.055 9.911 1.00 1.14 C ATOM 50 CG PRO A 4 -3.733 0.809 11.078 1.00 1.29 C ATOM 51 CD PRO A 4 -3.387 2.245 10.666 1.00 1.14 C ATOM 0 HA PRO A 4 -2.533 0.585 7.968 1.00 0.83 H new ATOM 0 HB2 PRO A 4 -3.899 -0.915 9.755 1.00 1.14 H new ATOM 0 HB3 PRO A 4 -2.245 -0.442 10.092 1.00 1.14 H new ATOM 0 HG2 PRO A 4 -4.804 0.690 11.241 1.00 1.29 H new ATOM 0 HG3 PRO A 4 -3.237 0.533 12.009 1.00 1.29 H new ATOM 0 HD2 PRO A 4 -4.236 2.909 10.827 1.00 1.14 H new ATOM 0 HD3 PRO A 4 -2.563 2.631 11.265 1.00 1.14 H new ATOM 59 N GLN A 5 -5.690 1.252 8.685 1.00 0.51 N ATOM 60 CA GLN A 5 -7.062 1.084 8.240 1.00 0.48 C ATOM 61 C GLN A 5 -7.332 1.876 6.969 1.00 0.40 C ATOM 62 O GLN A 5 -8.011 1.373 6.086 1.00 0.48 O ATOM 63 CB GLN A 5 -8.053 1.467 9.350 1.00 0.62 C ATOM 64 CG GLN A 5 -9.061 0.341 9.616 1.00 2.47 C ATOM 65 CD GLN A 5 -8.412 -0.814 10.370 1.00 3.57 C ATOM 66 OE1 GLN A 5 -8.006 -1.817 9.784 1.00 4.76 O ATOM 67 NE2 GLN A 5 -8.263 -0.675 11.676 1.00 4.25 N ATOM 0 H GLN A 5 -5.615 1.688 9.604 1.00 0.51 H new ATOM 0 HA GLN A 5 -7.208 0.029 8.009 1.00 0.48 H new ATOM 0 HB2 GLN A 5 -7.506 1.691 10.266 1.00 0.62 H new ATOM 0 HB3 GLN A 5 -8.586 2.375 9.066 1.00 0.62 H new ATOM 0 HG2 GLN A 5 -9.900 0.730 10.193 1.00 2.47 H new ATOM 0 HG3 GLN A 5 -9.465 -0.020 8.670 1.00 2.47 H new ATOM 0 HE21 GLN A 5 -8.607 0.165 12.142 1.00 4.25 H new ATOM 0 HE22 GLN A 5 -7.804 -1.407 12.218 1.00 4.25 H new ATOM 76 N ASP A 6 -6.831 3.104 6.850 1.00 0.59 N ATOM 77 CA ASP A 6 -7.105 3.893 5.656 1.00 0.65 C ATOM 78 C ASP A 6 -6.625 3.171 4.391 1.00 0.62 C ATOM 79 O ASP A 6 -7.294 3.271 3.366 1.00 0.81 O ATOM 80 CB ASP A 6 -6.573 5.333 5.755 1.00 1.02 C ATOM 81 CG ASP A 6 -7.552 6.274 6.419 1.00 1.32 C ATOM 82 OD1 ASP A 6 -8.565 6.602 5.771 1.00 2.32 O ATOM 83 OD2 ASP A 6 -7.294 6.711 7.562 1.00 2.07 O ATOM 0 H ASP A 6 -6.247 3.564 7.549 1.00 0.59 H new ATOM 0 HA ASP A 6 -8.188 3.990 5.581 1.00 0.65 H new ATOM 0 HB2 ASP A 6 -5.639 5.333 6.316 1.00 1.02 H new ATOM 0 HB3 ASP A 6 -6.344 5.701 4.755 1.00 1.02 H new ATOM 88 N TYR A 7 -5.516 2.418 4.422 1.00 0.54 N ATOM 89 CA TYR A 7 -5.221 1.535 3.295 1.00 0.58 C ATOM 90 C TYR A 7 -6.180 0.347 3.279 1.00 0.55 C ATOM 91 O TYR A 7 -6.775 0.034 2.246 1.00 0.55 O ATOM 92 CB TYR A 7 -3.783 1.009 3.337 1.00 0.55 C ATOM 93 CG TYR A 7 -2.740 2.036 2.966 1.00 0.66 C ATOM 94 CD1 TYR A 7 -2.214 2.856 3.969 1.00 2.16 C ATOM 95 CD2 TYR A 7 -2.154 2.039 1.684 1.00 1.58 C ATOM 96 CE1 TYR A 7 -1.137 3.700 3.681 1.00 2.45 C ATOM 97 CE2 TYR A 7 -1.073 2.887 1.396 1.00 1.58 C ATOM 98 CZ TYR A 7 -0.555 3.703 2.411 1.00 1.34 C ATOM 99 OH TYR A 7 0.496 4.536 2.180 1.00 1.82 O ATOM 0 H TYR A 7 -4.837 2.403 5.183 1.00 0.54 H new ATOM 0 HA TYR A 7 -5.346 2.129 2.390 1.00 0.58 H new ATOM 0 HB2 TYR A 7 -3.572 0.639 4.340 1.00 0.55 H new ATOM 0 HB3 TYR A 7 -3.698 0.160 2.659 1.00 0.55 H new ATOM 0 HD1 TYR A 7 -2.638 2.838 4.962 1.00 2.16 H new ATOM 0 HD2 TYR A 7 -2.540 1.384 0.917 1.00 1.58 H new ATOM 0 HE1 TYR A 7 -0.751 4.356 4.448 1.00 2.45 H new ATOM 0 HE2 TYR A 7 -0.646 2.910 0.404 1.00 1.58 H new ATOM 0 HH TYR A 7 0.341 5.036 1.352 1.00 1.82 H new ATOM 109 N LEU A 8 -6.239 -0.385 4.390 1.00 0.46 N ATOM 110 CA LEU A 8 -6.917 -1.674 4.453 1.00 0.29 C ATOM 111 C LEU A 8 -8.370 -1.591 4.006 1.00 0.35 C ATOM 112 O LEU A 8 -8.835 -2.446 3.264 1.00 0.36 O ATOM 113 CB LEU A 8 -6.821 -2.255 5.866 1.00 0.28 C ATOM 114 CG LEU A 8 -5.654 -3.236 5.993 1.00 0.33 C ATOM 115 CD1 LEU A 8 -5.468 -3.549 7.473 1.00 0.37 C ATOM 116 CD2 LEU A 8 -5.920 -4.551 5.249 1.00 0.47 C ATOM 0 H LEU A 8 -5.816 -0.098 5.273 1.00 0.46 H new ATOM 0 HA LEU A 8 -6.409 -2.340 3.755 1.00 0.29 H new ATOM 0 HB2 LEU A 8 -6.697 -1.446 6.585 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -7.753 -2.763 6.115 1.00 0.28 H new ATOM 0 HG LEU A 8 -4.768 -2.777 5.554 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -4.641 -4.248 7.596 1.00 0.37 H new ATOM 0 HD12 LEU A 8 -5.249 -2.629 8.015 1.00 0.37 H new ATOM 0 HD13 LEU A 8 -6.381 -3.994 7.868 1.00 0.37 H new ATOM 0 HD21 LEU A 8 -5.064 -5.216 5.368 1.00 0.47 H new ATOM 0 HD22 LEU A 8 -6.810 -5.028 5.660 1.00 0.47 H new ATOM 0 HD23 LEU A 8 -6.075 -4.345 4.190 1.00 0.47 H new ATOM 128 N ALA A 9 -9.079 -0.560 4.439 1.00 0.52 N ATOM 129 CA ALA A 9 -10.443 -0.279 4.046 1.00 0.57 C ATOM 130 C ALA A 9 -10.548 -0.268 2.525 1.00 0.48 C ATOM 131 O ALA A 9 -11.330 -1.021 1.955 1.00 0.47 O ATOM 132 CB ALA A 9 -10.864 1.070 4.629 1.00 0.68 C ATOM 0 H ALA A 9 -8.704 0.125 5.096 1.00 0.52 H new ATOM 0 HA ALA A 9 -11.108 -1.053 4.429 1.00 0.57 H new ATOM 0 HB1 ALA A 9 -11.891 1.288 4.337 1.00 0.68 H new ATOM 0 HB2 ALA A 9 -10.796 1.034 5.716 1.00 0.68 H new ATOM 0 HB3 ALA A 9 -10.205 1.852 4.250 1.00 0.68 H new ATOM 138 N VAL A 10 -9.740 0.561 1.861 1.00 0.46 N ATOM 139 CA VAL A 10 -9.786 0.676 0.411 1.00 0.40 C ATOM 140 C VAL A 10 -9.473 -0.682 -0.227 1.00 0.32 C ATOM 141 O VAL A 10 -10.107 -1.062 -1.208 1.00 0.28 O ATOM 142 CB VAL A 10 -8.841 1.780 -0.097 1.00 0.46 C ATOM 143 CG1 VAL A 10 -9.034 1.971 -1.609 1.00 0.47 C ATOM 144 CG2 VAL A 10 -9.093 3.140 0.569 1.00 0.53 C ATOM 0 H VAL A 10 -9.047 1.161 2.309 1.00 0.46 H new ATOM 0 HA VAL A 10 -10.793 0.970 0.115 1.00 0.40 H new ATOM 0 HB VAL A 10 -7.831 1.452 0.149 1.00 0.46 H new ATOM 0 HG11 VAL A 10 -8.364 2.753 -1.965 1.00 0.47 H new ATOM 0 HG12 VAL A 10 -8.809 1.038 -2.125 1.00 0.47 H new ATOM 0 HG13 VAL A 10 -10.066 2.258 -1.811 1.00 0.47 H new ATOM 0 HG21 VAL A 10 -8.396 3.876 0.169 1.00 0.53 H new ATOM 0 HG22 VAL A 10 -10.115 3.461 0.366 1.00 0.53 H new ATOM 0 HG23 VAL A 10 -8.948 3.050 1.646 1.00 0.53 H new ATOM 154 N HIS A 11 -8.503 -1.427 0.311 1.00 0.32 N ATOM 155 CA HIS A 11 -8.226 -2.769 -0.189 1.00 0.27 C ATOM 156 C HIS A 11 -9.459 -3.659 -0.059 1.00 0.28 C ATOM 157 O HIS A 11 -9.822 -4.366 -0.993 1.00 0.31 O ATOM 158 CB HIS A 11 -7.066 -3.427 0.560 1.00 0.30 C ATOM 159 CG HIS A 11 -5.713 -2.881 0.209 1.00 0.35 C ATOM 160 ND1 HIS A 11 -5.193 -1.671 0.596 1.00 0.54 N ATOM 161 CD2 HIS A 11 -4.760 -3.533 -0.522 1.00 0.37 C ATOM 162 CE1 HIS A 11 -3.948 -1.595 0.097 1.00 0.66 C ATOM 163 NE2 HIS A 11 -3.642 -2.700 -0.601 1.00 0.56 N ATOM 0 H HIS A 11 -7.906 -1.126 1.082 1.00 0.32 H new ATOM 0 HA HIS A 11 -7.952 -2.662 -1.239 1.00 0.27 H new ATOM 0 HB2 HIS A 11 -7.226 -3.307 1.631 1.00 0.30 H new ATOM 0 HB3 HIS A 11 -7.077 -4.497 0.354 1.00 0.30 H new ATOM 0 HD1 HIS A 11 -5.664 -0.962 1.158 1.00 0.54 H new ATOM 0 HD2 HIS A 11 -4.855 -4.516 -0.960 1.00 0.37 H new ATOM 0 HE1 HIS A 11 -3.282 -0.757 0.239 1.00 0.66 H new ATOM 171 N ASN A 12 -10.068 -3.678 1.119 1.00 0.33 N ATOM 172 CA ASN A 12 -11.163 -4.579 1.429 1.00 0.45 C ATOM 173 C ASN A 12 -12.379 -4.206 0.582 1.00 0.48 C ATOM 174 O ASN A 12 -13.089 -5.098 0.123 1.00 0.53 O ATOM 175 CB ASN A 12 -11.412 -4.645 2.948 1.00 0.71 C ATOM 176 CG ASN A 12 -10.325 -5.462 3.665 1.00 0.88 C ATOM 177 OD1 ASN A 12 -9.717 -6.355 3.080 1.00 1.57 O ATOM 178 ND2 ASN A 12 -10.067 -5.213 4.945 1.00 0.93 N ATOM 0 H ASN A 12 -9.812 -3.062 1.891 1.00 0.33 H new ATOM 0 HA ASN A 12 -10.910 -5.604 1.157 1.00 0.45 H new ATOM 0 HB2 ASN A 12 -11.438 -3.635 3.357 1.00 0.71 H new ATOM 0 HB3 ASN A 12 -12.388 -5.091 3.138 1.00 0.71 H new ATOM 0 HD21 ASN A 12 -9.365 -5.763 5.440 1.00 0.93 H new ATOM 0 HD22 ASN A 12 -10.571 -4.472 5.432 1.00 0.93 H new ATOM 185 N ASP A 13 -12.601 -2.920 0.299 1.00 0.51 N ATOM 186 CA ASP A 13 -13.434 -2.496 -0.825 1.00 0.57 C ATOM 187 C ASP A 13 -13.020 -3.145 -2.136 1.00 0.56 C ATOM 188 O ASP A 13 -13.751 -3.957 -2.683 1.00 0.78 O ATOM 189 CB ASP A 13 -13.485 -0.970 -0.974 1.00 0.63 C ATOM 190 CG ASP A 13 -14.881 -0.475 -1.271 1.00 0.91 C ATOM 191 OD1 ASP A 13 -15.494 -1.001 -2.227 1.00 2.41 O ATOM 192 OD2 ASP A 13 -15.279 0.555 -0.693 1.00 1.26 O ATOM 0 H ASP A 13 -12.210 -2.149 0.840 1.00 0.51 H new ATOM 0 HA ASP A 13 -14.440 -2.842 -0.588 1.00 0.57 H new ATOM 0 HB2 ASP A 13 -13.123 -0.504 -0.057 1.00 0.63 H new ATOM 0 HB3 ASP A 13 -12.813 -0.662 -1.775 1.00 0.63 H new ATOM 197 N ALA A 14 -11.844 -2.790 -2.647 1.00 0.41 N ATOM 198 CA ALA A 14 -11.347 -3.219 -3.947 1.00 0.52 C ATOM 199 C ALA A 14 -11.488 -4.728 -4.139 1.00 0.65 C ATOM 200 O ALA A 14 -11.746 -5.190 -5.245 1.00 1.07 O ATOM 201 CB ALA A 14 -9.883 -2.792 -4.079 1.00 0.62 C ATOM 0 H ALA A 14 -11.194 -2.179 -2.153 1.00 0.41 H new ATOM 0 HA ALA A 14 -11.945 -2.745 -4.726 1.00 0.52 H new ATOM 0 HB1 ALA A 14 -9.498 -3.107 -5.049 1.00 0.62 H new ATOM 0 HB2 ALA A 14 -9.811 -1.708 -3.995 1.00 0.62 H new ATOM 0 HB3 ALA A 14 -9.296 -3.257 -3.287 1.00 0.62 H new ATOM 207 N ARG A 15 -11.298 -5.488 -3.067 1.00 0.43 N ATOM 208 CA ARG A 15 -11.444 -6.928 -3.040 1.00 0.57 C ATOM 209 C ARG A 15 -12.928 -7.304 -3.047 1.00 0.69 C ATOM 210 O ARG A 15 -13.356 -8.093 -3.887 1.00 0.85 O ATOM 211 CB ARG A 15 -10.644 -7.469 -1.847 1.00 0.55 C ATOM 212 CG ARG A 15 -9.147 -7.262 -2.146 1.00 0.54 C ATOM 213 CD ARG A 15 -8.244 -7.332 -0.914 1.00 0.87 C ATOM 214 NE ARG A 15 -8.003 -8.720 -0.502 1.00 1.03 N ATOM 215 CZ ARG A 15 -6.934 -9.472 -0.800 1.00 1.87 C ATOM 216 NH1 ARG A 15 -6.020 -9.051 -1.684 1.00 3.09 N ATOM 217 NH2 ARG A 15 -6.796 -10.646 -0.191 1.00 2.70 N ATOM 0 H ARG A 15 -11.029 -5.099 -2.163 1.00 0.43 H new ATOM 0 HA ARG A 15 -11.033 -7.398 -3.933 1.00 0.57 H new ATOM 0 HB2 ARG A 15 -10.926 -6.948 -0.932 1.00 0.55 H new ATOM 0 HB3 ARG A 15 -10.859 -8.526 -1.692 1.00 0.55 H new ATOM 0 HG2 ARG A 15 -8.824 -8.017 -2.862 1.00 0.54 H new ATOM 0 HG3 ARG A 15 -9.015 -6.292 -2.624 1.00 0.54 H new ATOM 0 HD2 ARG A 15 -7.293 -6.845 -1.130 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -8.704 -6.782 -0.093 1.00 0.87 H new ATOM 0 HE ARG A 15 -8.724 -9.158 0.071 1.00 1.03 H new ATOM 0 HH11 ARG A 15 -6.132 -8.146 -2.141 1.00 3.09 H new ATOM 0 HH12 ARG A 15 -5.212 -9.635 -1.900 1.00 3.09 H new ATOM 0 HH21 ARG A 15 -7.495 -10.955 0.485 1.00 2.70 H new ATOM 0 HH22 ARG A 15 -5.992 -11.237 -0.400 1.00 2.70 H new ATOM 231 N ALA A 16 -13.731 -6.716 -2.161 1.00 0.70 N ATOM 232 CA ALA A 16 -15.179 -6.895 -2.155 1.00 0.83 C ATOM 233 C ALA A 16 -15.784 -6.689 -3.545 1.00 0.83 C ATOM 234 O ALA A 16 -16.618 -7.492 -3.963 1.00 0.97 O ATOM 235 CB ALA A 16 -15.826 -5.958 -1.136 1.00 0.89 C ATOM 0 H ALA A 16 -13.391 -6.099 -1.424 1.00 0.70 H new ATOM 0 HA ALA A 16 -15.384 -7.925 -1.864 1.00 0.83 H new ATOM 0 HB1 ALA A 16 -16.906 -6.103 -1.143 1.00 0.89 H new ATOM 0 HB2 ALA A 16 -15.437 -6.177 -0.142 1.00 0.89 H new ATOM 0 HB3 ALA A 16 -15.597 -4.924 -1.395 1.00 0.89 H new ATOM 241 N GLN A 17 -15.354 -5.650 -4.265 1.00 0.70 N ATOM 242 CA GLN A 17 -15.812 -5.336 -5.614 1.00 0.77 C ATOM 243 C GLN A 17 -15.860 -6.590 -6.484 1.00 0.74 C ATOM 244 O GLN A 17 -16.879 -6.900 -7.097 1.00 0.90 O ATOM 245 CB GLN A 17 -14.902 -4.279 -6.261 1.00 1.00 C ATOM 246 CG GLN A 17 -14.968 -2.897 -5.599 1.00 1.27 C ATOM 247 CD GLN A 17 -16.295 -2.177 -5.809 1.00 1.48 C ATOM 248 OE1 GLN A 17 -16.980 -2.396 -6.804 1.00 2.50 O ATOM 249 NE2 GLN A 17 -16.682 -1.310 -4.879 1.00 2.00 N ATOM 0 H GLN A 17 -14.660 -4.989 -3.914 1.00 0.70 H new ATOM 0 HA GLN A 17 -16.822 -4.933 -5.538 1.00 0.77 H new ATOM 0 HB2 GLN A 17 -13.872 -4.635 -6.229 1.00 1.00 H new ATOM 0 HB3 GLN A 17 -15.172 -4.178 -7.312 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -14.791 -3.008 -4.529 1.00 1.27 H new ATOM 0 HG3 GLN A 17 -14.163 -2.277 -5.993 1.00 1.27 H new ATOM 0 HE21 GLN A 17 -16.096 -1.144 -4.061 1.00 2.00 H new ATOM 0 HE22 GLN A 17 -17.565 -0.810 -4.984 1.00 2.00 H new ATOM 258 N VAL A 18 -14.748 -7.314 -6.542 1.00 0.86 N ATOM 259 CA VAL A 18 -14.603 -8.488 -7.389 1.00 0.99 C ATOM 260 C VAL A 18 -14.851 -9.772 -6.605 1.00 1.10 C ATOM 261 O VAL A 18 -14.500 -10.850 -7.077 1.00 1.33 O ATOM 262 CB VAL A 18 -13.215 -8.481 -8.035 1.00 0.97 C ATOM 263 CG1 VAL A 18 -13.147 -7.362 -9.067 1.00 1.05 C ATOM 264 CG2 VAL A 18 -12.108 -8.262 -7.006 1.00 0.81 C ATOM 0 H VAL A 18 -13.914 -7.099 -5.996 1.00 0.86 H new ATOM 0 HA VAL A 18 -15.356 -8.452 -8.177 1.00 0.99 H new ATOM 0 HB VAL A 18 -13.062 -9.454 -8.501 1.00 0.97 H new ATOM 0 HG11 VAL A 18 -12.160 -7.353 -9.530 1.00 1.05 H new ATOM 0 HG12 VAL A 18 -13.905 -7.527 -9.833 1.00 1.05 H new ATOM 0 HG13 VAL A 18 -13.327 -6.405 -8.578 1.00 1.05 H new ATOM 0 HG21 VAL A 18 -11.140 -8.264 -7.507 1.00 0.81 H new ATOM 0 HG22 VAL A 18 -12.257 -7.303 -6.509 1.00 0.81 H new ATOM 0 HG23 VAL A 18 -12.135 -9.062 -6.266 1.00 0.81 H new ATOM 274 N GLY A 19 -15.443 -9.686 -5.416 1.00 1.06 N ATOM 275 CA GLY A 19 -15.702 -10.852 -4.601 1.00 1.21 C ATOM 276 C GLY A 19 -14.417 -11.617 -4.309 1.00 1.25 C ATOM 277 O GLY A 19 -14.344 -12.825 -4.533 1.00 1.65 O ATOM 0 H GLY A 19 -15.752 -8.808 -4.999 1.00 1.06 H new ATOM 0 HA2 GLY A 19 -16.168 -10.548 -3.664 1.00 1.21 H new ATOM 0 HA3 GLY A 19 -16.409 -11.506 -5.111 1.00 1.21 H new ATOM 281 N VAL A 20 -13.402 -10.919 -3.815 1.00 0.94 N ATOM 282 CA VAL A 20 -12.141 -11.479 -3.358 1.00 0.96 C ATOM 283 C VAL A 20 -12.135 -11.369 -1.833 1.00 0.96 C ATOM 284 O VAL A 20 -12.651 -10.391 -1.286 1.00 0.92 O ATOM 285 CB VAL A 20 -10.998 -10.695 -4.025 1.00 0.89 C ATOM 286 CG1 VAL A 20 -9.647 -10.850 -3.330 1.00 1.00 C ATOM 287 CG2 VAL A 20 -10.832 -11.153 -5.476 1.00 0.94 C ATOM 0 H VAL A 20 -13.439 -9.904 -3.719 1.00 0.94 H new ATOM 0 HA VAL A 20 -12.010 -12.527 -3.628 1.00 0.96 H new ATOM 0 HB VAL A 20 -11.286 -9.646 -3.957 1.00 0.89 H new ATOM 0 HG11 VAL A 20 -8.895 -10.267 -3.862 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -9.723 -10.494 -2.303 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -9.357 -11.901 -3.329 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -10.021 -10.594 -5.943 1.00 0.94 H new ATOM 0 HG22 VAL A 20 -10.599 -12.217 -5.497 1.00 0.94 H new ATOM 0 HG23 VAL A 20 -11.758 -10.974 -6.022 1.00 0.94 H new ATOM 297 N GLY A 21 -11.589 -12.373 -1.143 1.00 1.05 N ATOM 298 CA GLY A 21 -11.462 -12.359 0.309 1.00 1.10 C ATOM 299 C GLY A 21 -10.719 -11.110 0.805 1.00 0.97 C ATOM 300 O GLY A 21 -9.981 -10.483 0.042 1.00 0.96 O ATOM 0 H GLY A 21 -11.223 -13.219 -1.580 1.00 1.05 H new ATOM 0 HA2 GLY A 21 -12.453 -12.395 0.761 1.00 1.10 H new ATOM 0 HA3 GLY A 21 -10.930 -13.252 0.636 1.00 1.10 H new ATOM 304 N PRO A 22 -10.890 -10.720 2.073 1.00 0.98 N ATOM 305 CA PRO A 22 -10.292 -9.515 2.626 1.00 0.94 C ATOM 306 C PRO A 22 -8.773 -9.675 2.772 1.00 1.08 C ATOM 307 O PRO A 22 -8.161 -10.575 2.191 1.00 1.40 O ATOM 308 CB PRO A 22 -10.998 -9.326 3.976 1.00 1.01 C ATOM 309 CG PRO A 22 -11.298 -10.759 4.408 1.00 1.21 C ATOM 310 CD PRO A 22 -11.647 -11.434 3.084 1.00 1.13 C ATOM 0 HA PRO A 22 -10.420 -8.642 1.985 1.00 0.94 H new ATOM 0 HB2 PRO A 22 -10.362 -8.812 4.696 1.00 1.01 H new ATOM 0 HB3 PRO A 22 -11.909 -8.735 3.876 1.00 1.01 H new ATOM 0 HG2 PRO A 22 -10.439 -11.227 4.888 1.00 1.21 H new ATOM 0 HG3 PRO A 22 -12.124 -10.805 5.118 1.00 1.21 H new ATOM 0 HD2 PRO A 22 -11.381 -12.491 3.100 1.00 1.13 H new ATOM 0 HD3 PRO A 22 -12.717 -11.378 2.885 1.00 1.13 H new ATOM 318 N MET A 23 -8.164 -8.786 3.547 1.00 0.93 N ATOM 319 CA MET A 23 -6.816 -8.901 4.068 1.00 0.89 C ATOM 320 C MET A 23 -6.782 -8.196 5.421 1.00 0.87 C ATOM 321 O MET A 23 -7.732 -7.489 5.762 1.00 0.97 O ATOM 322 CB MET A 23 -5.812 -8.262 3.106 1.00 0.88 C ATOM 323 CG MET A 23 -6.352 -6.978 2.470 1.00 0.91 C ATOM 324 SD MET A 23 -5.074 -5.903 1.799 1.00 1.28 S ATOM 325 CE MET A 23 -4.105 -7.076 0.832 1.00 1.00 C ATOM 0 H MET A 23 -8.623 -7.924 3.841 1.00 0.93 H new ATOM 0 HA MET A 23 -6.541 -9.950 4.179 1.00 0.89 H new ATOM 0 HB2 MET A 23 -4.890 -8.039 3.642 1.00 0.88 H new ATOM 0 HB3 MET A 23 -5.560 -8.975 2.321 1.00 0.88 H new ATOM 0 HG2 MET A 23 -7.046 -7.243 1.672 1.00 0.91 H new ATOM 0 HG3 MET A 23 -6.922 -6.426 3.217 1.00 0.91 H new ATOM 0 HE1 MET A 23 -3.583 -6.547 0.035 1.00 1.00 H new ATOM 0 HE2 MET A 23 -3.378 -7.567 1.478 1.00 1.00 H new ATOM 0 HE3 MET A 23 -4.768 -7.824 0.397 1.00 1.00 H new ATOM 335 N SER A 24 -5.687 -8.371 6.157 1.00 0.83 N ATOM 336 CA SER A 24 -5.393 -7.683 7.400 1.00 0.82 C ATOM 337 C SER A 24 -4.005 -7.068 7.351 1.00 0.59 C ATOM 338 O SER A 24 -3.244 -7.257 6.401 1.00 0.55 O ATOM 339 CB SER A 24 -5.583 -8.636 8.589 1.00 1.07 C ATOM 340 OG SER A 24 -4.372 -9.138 9.143 1.00 1.07 O ATOM 0 H SER A 24 -4.953 -9.025 5.887 1.00 0.83 H new ATOM 0 HA SER A 24 -6.094 -6.860 7.537 1.00 0.82 H new ATOM 0 HB2 SER A 24 -6.137 -8.116 9.370 1.00 1.07 H new ATOM 0 HB3 SER A 24 -6.198 -9.477 8.269 1.00 1.07 H new ATOM 0 HG SER A 24 -4.578 -9.734 9.894 1.00 1.07 H new ATOM 346 N TRP A 25 -3.677 -6.348 8.417 1.00 0.57 N ATOM 347 CA TRP A 25 -2.383 -5.702 8.524 1.00 0.49 C ATOM 348 C TRP A 25 -1.328 -6.750 8.873 1.00 0.62 C ATOM 349 O TRP A 25 -1.647 -7.775 9.492 1.00 1.16 O ATOM 350 CB TRP A 25 -2.405 -4.620 9.608 1.00 0.49 C ATOM 351 CG TRP A 25 -1.387 -3.536 9.427 1.00 0.45 C ATOM 352 CD1 TRP A 25 -0.424 -3.171 10.301 1.00 0.54 C ATOM 353 CD2 TRP A 25 -1.283 -2.604 8.317 1.00 0.40 C ATOM 354 NE1 TRP A 25 0.229 -2.048 9.826 1.00 0.57 N ATOM 355 CE2 TRP A 25 -0.273 -1.641 8.604 1.00 0.51 C ATOM 356 CE3 TRP A 25 -1.987 -2.454 7.111 1.00 0.41 C ATOM 357 CZ2 TRP A 25 -0.010 -0.555 7.747 1.00 0.61 C ATOM 358 CZ3 TRP A 25 -1.740 -1.377 6.255 1.00 0.51 C ATOM 359 CH2 TRP A 25 -0.769 -0.411 6.568 1.00 0.59 C ATOM 0 H TRP A 25 -4.292 -6.199 9.217 1.00 0.57 H new ATOM 0 HA TRP A 25 -2.144 -5.232 7.570 1.00 0.49 H new ATOM 0 HB2 TRP A 25 -3.397 -4.169 9.632 1.00 0.49 H new ATOM 0 HB3 TRP A 25 -2.246 -5.092 10.577 1.00 0.49 H new ATOM 0 HD1 TRP A 25 -0.199 -3.678 11.228 1.00 0.54 H new ATOM 0 HE1 TRP A 25 0.989 -1.577 10.318 1.00 0.57 H new ATOM 0 HE3 TRP A 25 -2.734 -3.185 6.840 1.00 0.41 H new ATOM 0 HZ2 TRP A 25 0.763 0.159 7.990 1.00 0.61 H new ATOM 0 HZ3 TRP A 25 -2.304 -1.286 5.339 1.00 0.51 H new ATOM 0 HH2 TRP A 25 -0.606 0.432 5.913 1.00 0.59 H new ATOM 370 N ASP A 26 -0.076 -6.450 8.553 1.00 0.48 N ATOM 371 CA ASP A 26 1.104 -7.050 9.137 1.00 0.49 C ATOM 372 C ASP A 26 2.120 -5.928 9.347 1.00 0.68 C ATOM 373 O ASP A 26 2.600 -5.314 8.391 1.00 1.30 O ATOM 374 CB ASP A 26 1.667 -8.153 8.239 1.00 0.53 C ATOM 375 CG ASP A 26 2.732 -8.940 8.967 1.00 1.83 C ATOM 376 OD1 ASP A 26 3.531 -8.328 9.705 1.00 2.94 O ATOM 377 OD2 ASP A 26 2.693 -10.182 8.863 1.00 2.75 O ATOM 0 H ASP A 26 0.149 -5.749 7.847 1.00 0.48 H new ATOM 0 HA ASP A 26 0.862 -7.526 10.087 1.00 0.49 H new ATOM 0 HB2 ASP A 26 0.864 -8.820 7.927 1.00 0.53 H new ATOM 0 HB3 ASP A 26 2.087 -7.714 7.334 1.00 0.53 H new ATOM 382 N ALA A 27 2.450 -5.634 10.600 1.00 0.56 N ATOM 383 CA ALA A 27 3.395 -4.577 10.912 1.00 0.71 C ATOM 384 C ALA A 27 4.783 -4.898 10.363 1.00 0.59 C ATOM 385 O ALA A 27 5.561 -3.984 10.120 1.00 0.58 O ATOM 386 CB ALA A 27 3.478 -4.366 12.419 1.00 1.00 C ATOM 0 H ALA A 27 2.074 -6.117 11.416 1.00 0.56 H new ATOM 0 HA ALA A 27 3.038 -3.663 10.438 1.00 0.71 H new ATOM 0 HB1 ALA A 27 4.191 -3.570 12.636 1.00 1.00 H new ATOM 0 HB2 ALA A 27 2.496 -4.088 12.802 1.00 1.00 H new ATOM 0 HB3 ALA A 27 3.807 -5.288 12.898 1.00 1.00 H new ATOM 392 N ASN A 28 5.115 -6.173 10.162 1.00 0.57 N ATOM 393 CA ASN A 28 6.411 -6.558 9.625 1.00 0.57 C ATOM 394 C ASN A 28 6.497 -6.064 8.190 1.00 0.50 C ATOM 395 O ASN A 28 7.519 -5.521 7.773 1.00 0.50 O ATOM 396 CB ASN A 28 6.613 -8.084 9.636 1.00 0.68 C ATOM 397 CG ASN A 28 6.404 -8.745 10.992 1.00 0.98 C ATOM 398 OD1 ASN A 28 6.451 -8.105 12.039 1.00 1.73 O ATOM 399 ND2 ASN A 28 6.154 -10.048 11.002 1.00 1.84 N ATOM 0 H ASN A 28 4.497 -6.958 10.366 1.00 0.57 H new ATOM 0 HA ASN A 28 7.186 -6.115 10.251 1.00 0.57 H new ATOM 0 HB2 ASN A 28 5.926 -8.533 8.919 1.00 0.68 H new ATOM 0 HB3 ASN A 28 7.623 -8.305 9.291 1.00 0.68 H new ATOM 0 HD21 ASN A 28 5.998 -10.531 11.887 1.00 1.84 H new ATOM 0 HD22 ASN A 28 6.118 -10.567 10.125 1.00 1.84 H new ATOM 406 N LEU A 29 5.420 -6.243 7.422 1.00 0.53 N ATOM 407 CA LEU A 29 5.346 -5.713 6.075 1.00 0.52 C ATOM 408 C LEU A 29 5.440 -4.197 6.115 1.00 0.44 C ATOM 409 O LEU A 29 6.178 -3.614 5.327 1.00 0.40 O ATOM 410 CB LEU A 29 4.042 -6.133 5.398 1.00 0.62 C ATOM 411 CG LEU A 29 4.015 -7.598 4.963 1.00 0.77 C ATOM 412 CD1 LEU A 29 2.638 -7.858 4.356 1.00 1.17 C ATOM 413 CD2 LEU A 29 5.085 -7.878 3.903 1.00 0.65 C ATOM 0 H LEU A 29 4.589 -6.754 7.719 1.00 0.53 H new ATOM 0 HA LEU A 29 6.179 -6.115 5.498 1.00 0.52 H new ATOM 0 HB2 LEU A 29 3.214 -5.952 6.083 1.00 0.62 H new ATOM 0 HB3 LEU A 29 3.877 -5.502 4.525 1.00 0.62 H new ATOM 0 HG LEU A 29 4.213 -8.242 5.820 1.00 0.77 H new ATOM 0 HD11 LEU A 29 2.574 -8.896 4.030 1.00 1.17 H new ATOM 0 HD12 LEU A 29 1.868 -7.664 5.103 1.00 1.17 H new ATOM 0 HD13 LEU A 29 2.487 -7.200 3.501 1.00 1.17 H new ATOM 0 HD21 LEU A 29 5.043 -8.928 3.612 1.00 0.65 H new ATOM 0 HD22 LEU A 29 4.904 -7.252 3.029 1.00 0.65 H new ATOM 0 HD23 LEU A 29 6.070 -7.654 4.312 1.00 0.65 H new ATOM 425 N ALA A 30 4.698 -3.554 7.017 1.00 0.46 N ATOM 426 CA ALA A 30 4.751 -2.106 7.139 1.00 0.44 C ATOM 427 C ALA A 30 6.195 -1.648 7.365 1.00 0.43 C ATOM 428 O ALA A 30 6.701 -0.787 6.645 1.00 0.44 O ATOM 429 CB ALA A 30 3.808 -1.624 8.245 1.00 0.51 C ATOM 0 H ALA A 30 4.060 -4.013 7.667 1.00 0.46 H new ATOM 0 HA ALA A 30 4.407 -1.654 6.209 1.00 0.44 H new ATOM 0 HB1 ALA A 30 3.862 -0.538 8.321 1.00 0.51 H new ATOM 0 HB2 ALA A 30 2.787 -1.921 8.007 1.00 0.51 H new ATOM 0 HB3 ALA A 30 4.104 -2.069 9.195 1.00 0.51 H new ATOM 435 N SER A 31 6.869 -2.259 8.342 1.00 0.48 N ATOM 436 CA SER A 31 8.239 -1.955 8.685 1.00 0.50 C ATOM 437 C SER A 31 9.114 -2.126 7.444 1.00 0.47 C ATOM 438 O SER A 31 9.852 -1.216 7.076 1.00 0.51 O ATOM 439 CB SER A 31 8.680 -2.796 9.901 1.00 0.56 C ATOM 440 OG SER A 31 9.232 -4.058 9.581 1.00 0.88 O ATOM 0 H SER A 31 6.460 -2.992 8.922 1.00 0.48 H new ATOM 0 HA SER A 31 8.347 -0.916 8.998 1.00 0.50 H new ATOM 0 HB2 SER A 31 9.415 -2.228 10.471 1.00 0.56 H new ATOM 0 HB3 SER A 31 7.819 -2.946 10.552 1.00 0.56 H new ATOM 0 HG SER A 31 8.631 -4.532 8.969 1.00 0.88 H new ATOM 446 N ARG A 32 9.014 -3.275 6.777 1.00 0.46 N ATOM 447 CA ARG A 32 9.820 -3.607 5.617 1.00 0.50 C ATOM 448 C ARG A 32 9.605 -2.588 4.501 1.00 0.44 C ATOM 449 O ARG A 32 10.568 -2.127 3.899 1.00 0.51 O ATOM 450 CB ARG A 32 9.467 -5.029 5.157 1.00 0.60 C ATOM 451 CG ARG A 32 10.414 -5.557 4.089 1.00 0.77 C ATOM 452 CD ARG A 32 9.830 -5.553 2.670 1.00 2.55 C ATOM 453 NE ARG A 32 10.897 -5.931 1.733 1.00 3.38 N ATOM 454 CZ ARG A 32 10.826 -6.725 0.656 1.00 4.85 C ATOM 455 NH1 ARG A 32 9.656 -7.108 0.148 1.00 6.04 N ATOM 456 NH2 ARG A 32 11.968 -7.115 0.091 1.00 5.48 N ATOM 0 H ARG A 32 8.357 -4.010 7.037 1.00 0.46 H new ATOM 0 HA ARG A 32 10.877 -3.573 5.881 1.00 0.50 H new ATOM 0 HB2 ARG A 32 9.487 -5.699 6.016 1.00 0.60 H new ATOM 0 HB3 ARG A 32 8.448 -5.038 4.769 1.00 0.60 H new ATOM 0 HG2 ARG A 32 11.323 -4.956 4.097 1.00 0.77 H new ATOM 0 HG3 ARG A 32 10.703 -6.576 4.348 1.00 0.77 H new ATOM 0 HD2 ARG A 32 8.997 -6.253 2.600 1.00 2.55 H new ATOM 0 HD3 ARG A 32 9.439 -4.566 2.423 1.00 2.55 H new ATOM 0 HE ARG A 32 11.816 -5.535 1.929 1.00 3.38 H new ATOM 0 HH11 ARG A 32 8.786 -6.796 0.580 1.00 6.04 H new ATOM 0 HH12 ARG A 32 9.630 -7.713 -0.673 1.00 6.04 H new ATOM 0 HH21 ARG A 32 12.860 -6.809 0.480 1.00 5.48 H new ATOM 0 HH22 ARG A 32 11.950 -7.720 -0.730 1.00 5.48 H new ATOM 470 N ALA A 33 8.354 -2.242 4.210 1.00 0.38 N ATOM 471 CA ALA A 33 8.006 -1.290 3.167 1.00 0.41 C ATOM 472 C ALA A 33 8.666 0.056 3.469 1.00 0.48 C ATOM 473 O ALA A 33 9.387 0.613 2.641 1.00 0.62 O ATOM 474 CB ALA A 33 6.479 -1.170 3.079 1.00 0.41 C ATOM 0 H ALA A 33 7.545 -2.622 4.701 1.00 0.38 H new ATOM 0 HA ALA A 33 8.372 -1.633 2.199 1.00 0.41 H new ATOM 0 HB1 ALA A 33 6.214 -0.457 2.298 1.00 0.41 H new ATOM 0 HB2 ALA A 33 6.051 -2.144 2.842 1.00 0.41 H new ATOM 0 HB3 ALA A 33 6.086 -0.824 4.035 1.00 0.41 H new ATOM 480 N GLN A 34 8.425 0.570 4.676 1.00 0.50 N ATOM 481 CA GLN A 34 8.988 1.832 5.132 1.00 0.59 C ATOM 482 C GLN A 34 10.514 1.789 5.011 1.00 0.58 C ATOM 483 O GLN A 34 11.130 2.727 4.516 1.00 0.65 O ATOM 484 CB GLN A 34 8.507 2.085 6.572 1.00 0.70 C ATOM 485 CG GLN A 34 8.534 3.530 7.025 1.00 0.99 C ATOM 486 CD GLN A 34 9.916 4.130 7.245 1.00 1.93 C ATOM 487 OE1 GLN A 34 10.809 3.482 7.788 1.00 3.71 O ATOM 488 NE2 GLN A 34 10.080 5.393 6.888 1.00 2.02 N ATOM 0 H GLN A 34 7.828 0.115 5.367 1.00 0.50 H new ATOM 0 HA GLN A 34 8.650 2.664 4.514 1.00 0.59 H new ATOM 0 HB2 GLN A 34 7.487 1.712 6.666 1.00 0.70 H new ATOM 0 HB3 GLN A 34 9.125 1.498 7.251 1.00 0.70 H new ATOM 0 HG2 GLN A 34 8.011 4.133 6.283 1.00 0.99 H new ATOM 0 HG3 GLN A 34 7.972 3.610 7.955 1.00 0.99 H new ATOM 0 HE21 GLN A 34 9.317 5.899 6.439 1.00 2.02 H new ATOM 0 HE22 GLN A 34 10.970 5.860 7.061 1.00 2.02 H new ATOM 497 N ASN A 35 11.124 0.693 5.454 1.00 0.58 N ATOM 498 CA ASN A 35 12.568 0.512 5.448 1.00 0.64 C ATOM 499 C ASN A 35 13.125 0.482 4.032 1.00 0.72 C ATOM 500 O ASN A 35 14.135 1.125 3.753 1.00 0.89 O ATOM 501 CB ASN A 35 12.961 -0.739 6.241 1.00 0.69 C ATOM 502 CG ASN A 35 13.172 -0.341 7.693 1.00 0.91 C ATOM 503 OD1 ASN A 35 14.233 0.152 8.058 1.00 1.58 O ATOM 504 ND2 ASN A 35 12.144 -0.444 8.517 1.00 2.09 N ATOM 0 H ASN A 35 10.617 -0.107 5.833 1.00 0.58 H new ATOM 0 HA ASN A 35 13.016 1.374 5.943 1.00 0.64 H new ATOM 0 HB2 ASN A 35 12.181 -1.497 6.165 1.00 0.69 H new ATOM 0 HB3 ASN A 35 13.871 -1.177 5.832 1.00 0.69 H new ATOM 0 HD21 ASN A 35 12.225 -0.110 9.477 1.00 2.09 H new ATOM 0 HD22 ASN A 35 11.270 -0.858 8.193 1.00 2.09 H new ATOM 511 N TYR A 36 12.480 -0.253 3.129 1.00 0.70 N ATOM 512 CA TYR A 36 12.891 -0.346 1.738 1.00 0.84 C ATOM 513 C TYR A 36 12.940 1.054 1.135 1.00 0.94 C ATOM 514 O TYR A 36 13.952 1.436 0.539 1.00 1.12 O ATOM 515 CB TYR A 36 11.925 -1.268 0.972 1.00 0.84 C ATOM 516 CG TYR A 36 12.335 -1.581 -0.457 1.00 1.07 C ATOM 517 CD1 TYR A 36 12.072 -0.665 -1.497 1.00 1.71 C ATOM 518 CD2 TYR A 36 12.999 -2.788 -0.745 1.00 2.61 C ATOM 519 CE1 TYR A 36 12.543 -0.922 -2.798 1.00 1.87 C ATOM 520 CE2 TYR A 36 13.430 -3.060 -2.054 1.00 2.86 C ATOM 521 CZ TYR A 36 13.262 -2.099 -3.063 1.00 1.78 C ATOM 522 OH TYR A 36 13.644 -2.374 -4.339 1.00 2.18 O ATOM 0 H TYR A 36 11.650 -0.804 3.348 1.00 0.70 H new ATOM 0 HA TYR A 36 13.888 -0.781 1.665 1.00 0.84 H new ATOM 0 HB2 TYR A 36 11.829 -2.205 1.520 1.00 0.84 H new ATOM 0 HB3 TYR A 36 10.938 -0.805 0.958 1.00 0.84 H new ATOM 0 HD1 TYR A 36 11.509 0.234 -1.295 1.00 1.71 H new ATOM 0 HD2 TYR A 36 13.177 -3.506 0.042 1.00 2.61 H new ATOM 0 HE1 TYR A 36 12.352 -0.215 -3.592 1.00 1.87 H new ATOM 0 HE2 TYR A 36 13.891 -4.009 -2.284 1.00 2.86 H new ATOM 0 HH TYR A 36 13.930 -3.309 -4.401 1.00 2.18 H new ATOM 532 N ALA A 37 11.850 1.802 1.314 1.00 0.90 N ATOM 533 CA ALA A 37 11.738 3.176 0.858 1.00 1.04 C ATOM 534 C ALA A 37 12.870 4.015 1.449 1.00 1.09 C ATOM 535 O ALA A 37 13.645 4.627 0.719 1.00 1.38 O ATOM 536 CB ALA A 37 10.367 3.732 1.254 1.00 1.05 C ATOM 0 H ALA A 37 11.013 1.460 1.786 1.00 0.90 H new ATOM 0 HA ALA A 37 11.825 3.215 -0.228 1.00 1.04 H new ATOM 0 HB1 ALA A 37 10.280 4.764 0.913 1.00 1.05 H new ATOM 0 HB2 ALA A 37 9.583 3.130 0.793 1.00 1.05 H new ATOM 0 HB3 ALA A 37 10.260 3.698 2.338 1.00 1.05 H new ATOM 542 N ASN A 38 12.969 4.017 2.779 1.00 0.87 N ATOM 543 CA ASN A 38 13.954 4.785 3.535 1.00 0.87 C ATOM 544 C ASN A 38 15.357 4.532 3.020 1.00 0.98 C ATOM 545 O ASN A 38 16.149 5.462 2.865 1.00 1.19 O ATOM 546 CB ASN A 38 13.917 4.422 5.029 1.00 0.77 C ATOM 547 CG ASN A 38 13.182 5.432 5.896 1.00 0.91 C ATOM 548 OD1 ASN A 38 12.562 6.370 5.407 1.00 1.42 O ATOM 549 ND2 ASN A 38 13.257 5.293 7.212 1.00 1.59 N ATOM 0 H ASN A 38 12.348 3.469 3.375 1.00 0.87 H new ATOM 0 HA ASN A 38 13.697 5.836 3.406 1.00 0.87 H new ATOM 0 HB2 ASN A 38 13.442 3.448 5.143 1.00 0.77 H new ATOM 0 HB3 ASN A 38 14.940 4.323 5.393 1.00 0.77 H new ATOM 0 HD21 ASN A 38 12.798 5.968 7.823 1.00 1.59 H new ATOM 0 HD22 ASN A 38 13.774 4.511 7.614 1.00 1.59 H new ATOM 556 N SER A 39 15.700 3.263 2.813 1.00 0.95 N ATOM 557 CA SER A 39 17.024 2.921 2.340 1.00 1.09 C ATOM 558 C SER A 39 17.250 3.604 0.992 1.00 1.14 C ATOM 559 O SER A 39 18.257 4.277 0.783 1.00 1.29 O ATOM 560 CB SER A 39 17.160 1.399 2.256 1.00 1.17 C ATOM 561 OG SER A 39 16.887 0.826 3.524 1.00 1.94 O ATOM 0 H SER A 39 15.081 2.467 2.966 1.00 0.95 H new ATOM 0 HA SER A 39 17.791 3.273 3.030 1.00 1.09 H new ATOM 0 HB2 SER A 39 16.470 1.003 1.511 1.00 1.17 H new ATOM 0 HB3 SER A 39 18.166 1.131 1.934 1.00 1.17 H new ATOM 0 HG SER A 39 15.921 0.839 3.687 1.00 1.94 H new ATOM 567 N ARG A 40 16.289 3.461 0.089 1.00 1.22 N ATOM 568 CA ARG A 40 16.391 3.887 -1.287 1.00 1.45 C ATOM 569 C ARG A 40 15.819 5.297 -1.458 1.00 1.36 C ATOM 570 O ARG A 40 15.000 5.532 -2.340 1.00 1.66 O ATOM 571 CB ARG A 40 15.688 2.802 -2.089 1.00 1.87 C ATOM 572 CG ARG A 40 15.947 2.939 -3.575 1.00 1.95 C ATOM 573 CD ARG A 40 15.063 1.981 -4.359 1.00 1.70 C ATOM 574 NE ARG A 40 15.423 2.127 -5.762 1.00 2.32 N ATOM 575 CZ ARG A 40 15.865 1.204 -6.622 1.00 3.29 C ATOM 576 NH1 ARG A 40 15.997 -0.079 -6.275 1.00 3.76 N ATOM 577 NH2 ARG A 40 16.185 1.635 -7.837 1.00 4.19 N ATOM 0 H ARG A 40 15.391 3.030 0.308 1.00 1.22 H new ATOM 0 HA ARG A 40 17.417 3.986 -1.642 1.00 1.45 H new ATOM 0 HB2 ARG A 40 16.027 1.823 -1.750 1.00 1.87 H new ATOM 0 HB3 ARG A 40 14.615 2.850 -1.902 1.00 1.87 H new ATOM 0 HG2 ARG A 40 15.753 3.964 -3.891 1.00 1.95 H new ATOM 0 HG3 ARG A 40 16.996 2.733 -3.788 1.00 1.95 H new ATOM 0 HD2 ARG A 40 15.215 0.954 -4.026 1.00 1.70 H new ATOM 0 HD3 ARG A 40 14.009 2.213 -4.204 1.00 1.70 H new ATOM 0 HE ARG A 40 15.324 3.068 -6.143 1.00 2.32 H new ATOM 0 HH11 ARG A 40 15.758 -0.379 -5.330 1.00 3.76 H new ATOM 0 HH12 ARG A 40 16.337 -0.759 -6.955 1.00 3.76 H new ATOM 0 HH21 ARG A 40 16.087 2.623 -8.070 1.00 4.19 H new ATOM 0 HH22 ARG A 40 16.528 0.978 -8.537 1.00 4.19 H new ATOM 591 N ALA A 41 16.253 6.250 -0.633 1.00 1.56 N ATOM 592 CA ALA A 41 15.675 7.592 -0.614 1.00 1.43 C ATOM 593 C ALA A 41 16.038 8.405 -1.855 1.00 1.43 C ATOM 594 O ALA A 41 15.203 9.096 -2.436 1.00 2.31 O ATOM 595 CB ALA A 41 16.144 8.340 0.634 1.00 1.94 C ATOM 0 H ALA A 41 17.010 6.114 0.037 1.00 1.56 H new ATOM 0 HA ALA A 41 14.592 7.473 -0.603 1.00 1.43 H new ATOM 0 HB1 ALA A 41 15.710 9.340 0.643 1.00 1.94 H new ATOM 0 HB2 ALA A 41 15.825 7.798 1.524 1.00 1.94 H new ATOM 0 HB3 ALA A 41 17.231 8.416 0.625 1.00 1.94 H new ATOM 601 N GLY A 42 17.307 8.381 -2.250 1.00 1.48 N ATOM 602 CA GLY A 42 17.799 9.300 -3.260 1.00 1.57 C ATOM 603 C GLY A 42 17.475 8.853 -4.683 1.00 1.55 C ATOM 604 O GLY A 42 17.861 9.542 -5.626 1.00 1.94 O ATOM 0 H GLY A 42 18.008 7.736 -1.885 1.00 1.48 H new ATOM 0 HA2 GLY A 42 17.367 10.286 -3.088 1.00 1.57 H new ATOM 0 HA3 GLY A 42 18.879 9.403 -3.155 1.00 1.57 H new ATOM 608 N ASP A 43 16.826 7.703 -4.878 1.00 1.38 N ATOM 609 CA ASP A 43 16.653 7.083 -6.188 1.00 1.70 C ATOM 610 C ASP A 43 15.166 6.974 -6.484 1.00 1.78 C ATOM 611 O ASP A 43 14.652 7.615 -7.399 1.00 2.40 O ATOM 612 CB ASP A 43 17.324 5.709 -6.171 1.00 1.99 C ATOM 613 CG ASP A 43 16.942 4.895 -7.387 1.00 2.95 C ATOM 614 OD1 ASP A 43 15.876 4.246 -7.331 1.00 3.81 O ATOM 615 OD2 ASP A 43 17.751 4.851 -8.338 1.00 3.93 O ATOM 0 H ASP A 43 16.401 7.171 -4.118 1.00 1.38 H new ATOM 0 HA ASP A 43 17.115 7.682 -6.972 1.00 1.70 H new ATOM 0 HB2 ASP A 43 18.407 5.831 -6.138 1.00 1.99 H new ATOM 0 HB3 ASP A 43 17.036 5.173 -5.267 1.00 1.99 H new ATOM 620 N CYS A 44 14.483 6.187 -5.657 1.00 1.72 N ATOM 621 CA CYS A 44 13.040 6.022 -5.660 1.00 1.75 C ATOM 622 C CYS A 44 12.490 5.755 -7.058 1.00 1.68 C ATOM 623 O CYS A 44 11.434 6.261 -7.430 1.00 1.94 O ATOM 624 CB CYS A 44 12.378 7.198 -4.934 1.00 1.80 C ATOM 625 SG CYS A 44 12.745 7.149 -3.172 1.00 2.54 S ATOM 0 H CYS A 44 14.942 5.626 -4.939 1.00 1.72 H new ATOM 0 HA CYS A 44 12.784 5.123 -5.099 1.00 1.75 H new ATOM 0 HB2 CYS A 44 12.731 8.138 -5.358 1.00 1.80 H new ATOM 0 HB3 CYS A 44 11.299 7.165 -5.087 1.00 1.80 H new ATOM 630 N ASN A 45 13.182 4.909 -7.821 1.00 2.08 N ATOM 631 CA ASN A 45 12.656 4.387 -9.084 1.00 2.33 C ATOM 632 C ASN A 45 11.521 3.420 -8.755 1.00 2.10 C ATOM 633 O ASN A 45 11.682 2.574 -7.873 1.00 2.66 O ATOM 634 CB ASN A 45 13.712 3.612 -9.888 1.00 2.93 C ATOM 635 CG ASN A 45 14.979 4.401 -10.167 1.00 3.36 C ATOM 636 OD1 ASN A 45 14.951 5.617 -10.327 1.00 3.76 O ATOM 637 ND2 ASN A 45 16.114 3.713 -10.225 1.00 4.19 N ATOM 0 H ASN A 45 14.114 4.568 -7.585 1.00 2.08 H new ATOM 0 HA ASN A 45 12.327 5.234 -9.686 1.00 2.33 H new ATOM 0 HB2 ASN A 45 13.974 2.705 -9.344 1.00 2.93 H new ATOM 0 HB3 ASN A 45 13.275 3.300 -10.836 1.00 2.93 H new ATOM 0 HD21 ASN A 45 16.994 4.195 -10.407 1.00 4.19 H new ATOM 0 HD22 ASN A 45 16.105 2.702 -10.088 1.00 4.19 H new ATOM 644 N LEU A 46 10.387 3.490 -9.456 1.00 1.94 N ATOM 645 CA LEU A 46 9.237 2.648 -9.136 1.00 1.66 C ATOM 646 C LEU A 46 9.410 1.228 -9.691 1.00 1.95 C ATOM 647 O LEU A 46 8.639 0.801 -10.549 1.00 2.28 O ATOM 648 CB LEU A 46 7.918 3.280 -9.620 1.00 1.69 C ATOM 649 CG LEU A 46 7.613 4.694 -9.093 1.00 1.28 C ATOM 650 CD1 LEU A 46 6.105 4.953 -9.121 1.00 1.88 C ATOM 651 CD2 LEU A 46 8.099 4.921 -7.665 1.00 1.39 C ATOM 0 H LEU A 46 10.243 4.119 -10.246 1.00 1.94 H new ATOM 0 HA LEU A 46 9.184 2.574 -8.050 1.00 1.66 H new ATOM 0 HB2 LEU A 46 7.934 3.315 -10.709 1.00 1.69 H new ATOM 0 HB3 LEU A 46 7.097 2.622 -9.334 1.00 1.69 H new ATOM 0 HG LEU A 46 8.148 5.380 -9.750 1.00 1.28 H new ATOM 0 HD11 LEU A 46 5.901 5.956 -8.746 1.00 1.88 H new ATOM 0 HD12 LEU A 46 5.740 4.867 -10.144 1.00 1.88 H new ATOM 0 HD13 LEU A 46 5.598 4.221 -8.492 1.00 1.88 H new ATOM 0 HD21 LEU A 46 7.853 5.936 -7.354 1.00 1.39 H new ATOM 0 HD22 LEU A 46 7.613 4.209 -6.998 1.00 1.39 H new ATOM 0 HD23 LEU A 46 9.179 4.780 -7.621 1.00 1.39 H new ATOM 663 N ILE A 47 10.411 0.491 -9.208 1.00 2.01 N ATOM 664 CA ILE A 47 10.725 -0.863 -9.663 1.00 2.30 C ATOM 665 C ILE A 47 10.468 -1.879 -8.545 1.00 2.15 C ATOM 666 O ILE A 47 9.910 -2.951 -8.781 1.00 3.72 O ATOM 667 CB ILE A 47 12.190 -0.939 -10.137 1.00 2.71 C ATOM 668 CG1 ILE A 47 12.606 0.203 -11.082 1.00 2.92 C ATOM 669 CG2 ILE A 47 12.447 -2.295 -10.802 1.00 3.17 C ATOM 670 CD1 ILE A 47 11.836 0.257 -12.405 1.00 4.97 C ATOM 0 H ILE A 47 11.038 0.825 -8.476 1.00 2.01 H new ATOM 0 HA ILE A 47 10.075 -1.108 -10.503 1.00 2.30 H new ATOM 0 HB ILE A 47 12.807 -0.826 -9.246 1.00 2.71 H new ATOM 0 HG12 ILE A 47 12.474 1.152 -10.562 1.00 2.92 H new ATOM 0 HG13 ILE A 47 13.669 0.105 -11.301 1.00 2.92 H new ATOM 0 HG21 ILE A 47 13.483 -2.346 -11.136 1.00 3.17 H new ATOM 0 HG22 ILE A 47 12.257 -3.094 -10.085 1.00 3.17 H new ATOM 0 HG23 ILE A 47 11.783 -2.412 -11.659 1.00 3.17 H new ATOM 0 HD11 ILE A 47 12.198 1.093 -13.003 1.00 4.97 H new ATOM 0 HD12 ILE A 47 11.988 -0.673 -12.952 1.00 4.97 H new ATOM 0 HD13 ILE A 47 10.773 0.390 -12.202 1.00 4.97 H new ATOM 682 N HIS A 48 10.913 -1.554 -7.329 1.00 1.54 N ATOM 683 CA HIS A 48 11.079 -2.508 -6.239 1.00 2.10 C ATOM 684 C HIS A 48 12.113 -3.576 -6.630 1.00 2.48 C ATOM 685 O HIS A 48 12.798 -3.446 -7.644 1.00 3.40 O ATOM 686 CB HIS A 48 9.732 -3.121 -5.800 1.00 2.77 C ATOM 687 CG HIS A 48 9.748 -3.696 -4.402 1.00 4.44 C ATOM 688 ND1 HIS A 48 9.153 -4.880 -3.998 1.00 5.37 N ATOM 689 CD2 HIS A 48 10.029 -2.969 -3.281 1.00 5.77 C ATOM 690 CE1 HIS A 48 9.067 -4.852 -2.654 1.00 6.98 C ATOM 691 NE2 HIS A 48 9.584 -3.697 -2.200 1.00 7.27 N ATOM 0 H HIS A 48 11.172 -0.601 -7.073 1.00 1.54 H new ATOM 0 HA HIS A 48 11.460 -1.976 -5.367 1.00 2.10 H new ATOM 0 HB2 HIS A 48 8.959 -2.355 -5.858 1.00 2.77 H new ATOM 0 HB3 HIS A 48 9.455 -3.907 -6.503 1.00 2.77 H new ATOM 0 HD1 HIS A 48 8.838 -5.635 -4.607 1.00 5.37 H new ATOM 0 HD2 HIS A 48 10.511 -2.003 -3.248 1.00 5.77 H new ATOM 0 HE1 HIS A 48 8.649 -5.634 -2.038 1.00 6.98 H new ATOM 0 HE2 HIS A 48 9.637 -3.409 -1.223 1.00 7.27 H new ATOM 700 N SER A 49 12.214 -4.641 -5.842 1.00 2.70 N ATOM 701 CA SER A 49 12.925 -5.864 -6.172 1.00 3.34 C ATOM 702 C SER A 49 12.134 -7.025 -5.565 1.00 3.47 C ATOM 703 O SER A 49 12.645 -7.801 -4.760 1.00 4.89 O ATOM 704 CB SER A 49 14.372 -5.767 -5.671 1.00 4.97 C ATOM 705 OG SER A 49 14.457 -5.035 -4.458 1.00 5.77 O ATOM 0 H SER A 49 11.783 -4.674 -4.918 1.00 2.70 H new ATOM 0 HA SER A 49 12.997 -6.030 -7.247 1.00 3.34 H new ATOM 0 HB2 SER A 49 14.774 -6.769 -5.521 1.00 4.97 H new ATOM 0 HB3 SER A 49 14.989 -5.287 -6.430 1.00 4.97 H new ATOM 0 HG SER A 49 15.392 -4.993 -4.166 1.00 5.77 H new ATOM 711 N GLY A 50 10.846 -7.108 -5.891 1.00 2.56 N ATOM 712 CA GLY A 50 9.980 -8.155 -5.373 1.00 3.19 C ATOM 713 C GLY A 50 8.557 -7.944 -5.871 1.00 2.34 C ATOM 714 O GLY A 50 7.992 -6.868 -5.650 1.00 3.21 O ATOM 0 H GLY A 50 10.379 -6.453 -6.518 1.00 2.56 H new ATOM 0 HA2 GLY A 50 10.345 -9.131 -5.691 1.00 3.19 H new ATOM 0 HA3 GLY A 50 9.998 -8.148 -4.283 1.00 3.19 H new ATOM 718 N ALA A 51 7.981 -8.945 -6.536 1.00 1.68 N ATOM 719 CA ALA A 51 6.590 -8.935 -6.956 1.00 1.34 C ATOM 720 C ALA A 51 5.732 -9.228 -5.732 1.00 1.00 C ATOM 721 O ALA A 51 5.381 -10.379 -5.487 1.00 2.19 O ATOM 722 CB ALA A 51 6.359 -9.983 -8.052 1.00 2.12 C ATOM 0 H ALA A 51 8.479 -9.795 -6.799 1.00 1.68 H new ATOM 0 HA ALA A 51 6.322 -7.964 -7.372 1.00 1.34 H new ATOM 0 HB1 ALA A 51 5.313 -9.965 -8.358 1.00 2.12 H new ATOM 0 HB2 ALA A 51 6.992 -9.757 -8.910 1.00 2.12 H new ATOM 0 HB3 ALA A 51 6.608 -10.972 -7.668 1.00 2.12 H new ATOM 728 N GLY A 52 5.444 -8.205 -4.937 1.00 1.09 N ATOM 729 CA GLY A 52 4.586 -8.312 -3.769 1.00 0.70 C ATOM 730 C GLY A 52 4.413 -6.928 -3.158 1.00 0.84 C ATOM 731 O GLY A 52 4.544 -6.767 -1.946 1.00 1.71 O ATOM 0 H GLY A 52 5.807 -7.264 -5.090 1.00 1.09 H new ATOM 0 HA2 GLY A 52 3.617 -8.724 -4.049 1.00 0.70 H new ATOM 0 HA3 GLY A 52 5.024 -8.994 -3.040 1.00 0.70 H new ATOM 735 N GLU A 53 4.225 -5.913 -4.002 1.00 0.88 N ATOM 736 CA GLU A 53 4.199 -4.509 -3.627 1.00 0.88 C ATOM 737 C GLU A 53 3.415 -3.674 -4.639 1.00 0.90 C ATOM 738 O GLU A 53 3.209 -4.077 -5.786 1.00 1.11 O ATOM 739 CB GLU A 53 5.627 -3.998 -3.385 1.00 1.02 C ATOM 740 CG GLU A 53 5.706 -2.924 -2.289 1.00 1.98 C ATOM 741 CD GLU A 53 7.056 -2.265 -2.256 1.00 2.78 C ATOM 742 OE1 GLU A 53 7.499 -1.865 -3.348 1.00 3.56 O ATOM 743 OE2 GLU A 53 7.686 -2.268 -1.176 1.00 3.62 O ATOM 0 H GLU A 53 4.082 -6.057 -5.002 1.00 0.88 H new ATOM 0 HA GLU A 53 3.662 -4.402 -2.685 1.00 0.88 H new ATOM 0 HB2 GLU A 53 6.265 -4.838 -3.109 1.00 1.02 H new ATOM 0 HB3 GLU A 53 6.023 -3.589 -4.315 1.00 1.02 H new ATOM 0 HG2 GLU A 53 4.937 -2.171 -2.461 1.00 1.98 H new ATOM 0 HG3 GLU A 53 5.498 -3.377 -1.320 1.00 1.98 H new ATOM 750 N ASN A 54 2.972 -2.498 -4.211 1.00 0.83 N ATOM 751 CA ASN A 54 2.534 -1.393 -5.053 1.00 0.82 C ATOM 752 C ASN A 54 3.281 -0.181 -4.513 1.00 0.63 C ATOM 753 O ASN A 54 3.324 0.021 -3.298 1.00 0.86 O ATOM 754 CB ASN A 54 1.019 -1.178 -4.929 1.00 1.13 C ATOM 755 CG ASN A 54 0.258 -1.705 -6.138 1.00 1.19 C ATOM 756 OD1 ASN A 54 -0.723 -1.118 -6.569 1.00 2.63 O ATOM 757 ND2 ASN A 54 0.711 -2.796 -6.744 1.00 2.23 N ATOM 0 H ASN A 54 2.905 -2.279 -3.217 1.00 0.83 H new ATOM 0 HA ASN A 54 2.738 -1.578 -6.108 1.00 0.82 H new ATOM 0 HB2 ASN A 54 0.656 -1.676 -4.030 1.00 1.13 H new ATOM 0 HB3 ASN A 54 0.814 -0.114 -4.809 1.00 1.13 H new ATOM 0 HD21 ASN A 54 0.239 -3.150 -7.576 1.00 2.23 H new ATOM 0 HD22 ASN A 54 1.531 -3.280 -6.377 1.00 2.23 H new ATOM 764 N LEU A 55 3.883 0.600 -5.406 1.00 0.46 N ATOM 765 CA LEU A 55 4.532 1.856 -5.073 1.00 0.43 C ATOM 766 C LEU A 55 3.686 2.987 -5.639 1.00 0.40 C ATOM 767 O LEU A 55 2.921 2.769 -6.583 1.00 0.44 O ATOM 768 CB LEU A 55 5.921 1.931 -5.715 1.00 0.49 C ATOM 769 CG LEU A 55 6.907 0.841 -5.267 1.00 0.69 C ATOM 770 CD1 LEU A 55 8.180 0.914 -6.111 1.00 0.73 C ATOM 771 CD2 LEU A 55 7.276 1.042 -3.799 1.00 0.98 C ATOM 0 H LEU A 55 3.932 0.370 -6.398 1.00 0.46 H new ATOM 0 HA LEU A 55 4.634 1.933 -3.991 1.00 0.43 H new ATOM 0 HB2 LEU A 55 5.807 1.873 -6.798 1.00 0.49 H new ATOM 0 HB3 LEU A 55 6.355 2.906 -5.492 1.00 0.49 H new ATOM 0 HG LEU A 55 6.433 -0.132 -5.396 1.00 0.69 H new ATOM 0 HD11 LEU A 55 8.875 0.139 -5.789 1.00 0.73 H new ATOM 0 HD12 LEU A 55 7.930 0.763 -7.161 1.00 0.73 H new ATOM 0 HD13 LEU A 55 8.644 1.892 -5.986 1.00 0.73 H new ATOM 0 HD21 LEU A 55 7.975 0.265 -3.490 1.00 0.98 H new ATOM 0 HD22 LEU A 55 7.740 2.020 -3.671 1.00 0.98 H new ATOM 0 HD23 LEU A 55 6.376 0.985 -3.187 1.00 0.98 H new ATOM 783 N ALA A 56 3.851 4.193 -5.104 1.00 0.42 N ATOM 784 CA ALA A 56 3.216 5.389 -5.618 1.00 0.39 C ATOM 785 C ALA A 56 4.011 6.604 -5.156 1.00 0.47 C ATOM 786 O ALA A 56 3.980 6.932 -3.970 1.00 1.12 O ATOM 787 CB ALA A 56 1.771 5.445 -5.116 1.00 0.46 C ATOM 0 H ALA A 56 4.440 4.363 -4.289 1.00 0.42 H new ATOM 0 HA ALA A 56 3.198 5.380 -6.708 1.00 0.39 H new ATOM 0 HB1 ALA A 56 1.287 6.343 -5.499 1.00 0.46 H new ATOM 0 HB2 ALA A 56 1.230 4.565 -5.464 1.00 0.46 H new ATOM 0 HB3 ALA A 56 1.765 5.467 -4.026 1.00 0.46 H new ATOM 793 N LYS A 57 4.715 7.277 -6.068 1.00 0.70 N ATOM 794 CA LYS A 57 5.209 8.610 -5.809 1.00 0.63 C ATOM 795 C LYS A 57 4.026 9.555 -6.029 1.00 0.79 C ATOM 796 O LYS A 57 3.102 9.213 -6.771 1.00 1.18 O ATOM 797 CB LYS A 57 6.432 8.859 -6.713 1.00 0.92 C ATOM 798 CG LYS A 57 6.336 9.922 -7.814 1.00 1.64 C ATOM 799 CD LYS A 57 5.569 9.478 -9.068 1.00 1.95 C ATOM 800 CE LYS A 57 5.861 10.357 -10.301 1.00 2.39 C ATOM 801 NZ LYS A 57 5.646 11.795 -10.044 1.00 3.60 N ATOM 0 H LYS A 57 4.951 6.911 -6.991 1.00 0.70 H new ATOM 0 HA LYS A 57 5.568 8.770 -4.792 1.00 0.63 H new ATOM 0 HB2 LYS A 57 7.269 9.127 -6.068 1.00 0.92 H new ATOM 0 HB3 LYS A 57 6.687 7.913 -7.190 1.00 0.92 H new ATOM 0 HG2 LYS A 57 5.852 10.808 -7.403 1.00 1.64 H new ATOM 0 HG3 LYS A 57 7.344 10.215 -8.106 1.00 1.64 H new ATOM 0 HD2 LYS A 57 5.828 8.444 -9.297 1.00 1.95 H new ATOM 0 HD3 LYS A 57 4.499 9.500 -8.859 1.00 1.95 H new ATOM 0 HE2 LYS A 57 6.892 10.200 -10.617 1.00 2.39 H new ATOM 0 HE3 LYS A 57 5.223 10.041 -11.126 1.00 2.39 H new ATOM 0 HZ1 LYS A 57 5.808 12.332 -10.920 1.00 3.60 H new ATOM 0 HZ2 LYS A 57 4.670 11.948 -9.720 1.00 3.60 H new ATOM 0 HZ3 LYS A 57 6.309 12.120 -9.311 1.00 3.60 H new ATOM 815 N GLY A 58 4.047 10.739 -5.424 1.00 0.76 N ATOM 816 CA GLY A 58 3.015 11.732 -5.703 1.00 1.17 C ATOM 817 C GLY A 58 3.360 13.116 -5.209 1.00 0.99 C ATOM 818 O GLY A 58 3.147 14.128 -5.873 1.00 2.30 O ATOM 0 H GLY A 58 4.754 11.031 -4.749 1.00 0.76 H new ATOM 0 HA2 GLY A 58 2.842 11.772 -6.778 1.00 1.17 H new ATOM 0 HA3 GLY A 58 2.081 11.413 -5.241 1.00 1.17 H new ATOM 822 N GLY A 59 3.946 13.124 -4.035 1.00 1.61 N ATOM 823 CA GLY A 59 4.378 14.341 -3.373 1.00 1.76 C ATOM 824 C GLY A 59 3.201 15.222 -2.976 1.00 1.50 C ATOM 825 O GLY A 59 2.051 14.776 -2.939 1.00 2.97 O ATOM 0 H GLY A 59 4.141 12.276 -3.502 1.00 1.61 H new ATOM 0 HA2 GLY A 59 4.956 14.085 -2.485 1.00 1.76 H new ATOM 0 HA3 GLY A 59 5.041 14.898 -4.035 1.00 1.76 H new ATOM 829 N GLY A 60 3.504 16.461 -2.608 1.00 1.26 N ATOM 830 CA GLY A 60 2.538 17.374 -2.041 1.00 1.35 C ATOM 831 C GLY A 60 2.034 16.805 -0.723 1.00 1.35 C ATOM 832 O GLY A 60 2.813 16.694 0.222 1.00 2.32 O ATOM 0 H GLY A 60 4.439 16.858 -2.699 1.00 1.26 H new ATOM 0 HA2 GLY A 60 2.993 18.351 -1.880 1.00 1.35 H new ATOM 0 HA3 GLY A 60 1.707 17.519 -2.731 1.00 1.35 H new ATOM 836 N ASP A 61 0.768 16.394 -0.686 1.00 1.55 N ATOM 837 CA ASP A 61 0.103 15.785 0.463 1.00 1.61 C ATOM 838 C ASP A 61 -0.550 14.459 0.081 1.00 1.31 C ATOM 839 O ASP A 61 -1.440 13.968 0.771 1.00 1.41 O ATOM 840 CB ASP A 61 -0.937 16.756 1.043 1.00 2.14 C ATOM 841 CG ASP A 61 -1.954 17.178 0.000 1.00 2.39 C ATOM 842 OD1 ASP A 61 -1.600 18.043 -0.836 1.00 3.30 O ATOM 843 OD2 ASP A 61 -3.063 16.607 -0.025 1.00 2.89 O ATOM 0 H ASP A 61 0.150 16.481 -1.493 1.00 1.55 H new ATOM 0 HA ASP A 61 0.854 15.577 1.225 1.00 1.61 H new ATOM 0 HB2 ASP A 61 -1.450 16.282 1.880 1.00 2.14 H new ATOM 0 HB3 ASP A 61 -0.432 17.638 1.436 1.00 2.14 H new ATOM 848 N PHE A 62 -0.056 13.854 -0.993 1.00 1.25 N ATOM 849 CA PHE A 62 -0.628 12.666 -1.611 1.00 1.10 C ATOM 850 C PHE A 62 -0.777 11.559 -0.569 1.00 0.96 C ATOM 851 O PHE A 62 0.215 11.116 0.016 1.00 1.16 O ATOM 852 CB PHE A 62 0.257 12.250 -2.785 1.00 1.20 C ATOM 853 CG PHE A 62 -0.112 10.936 -3.433 1.00 0.98 C ATOM 854 CD1 PHE A 62 -1.396 10.736 -3.975 1.00 1.91 C ATOM 855 CD2 PHE A 62 0.848 9.915 -3.513 1.00 1.51 C ATOM 856 CE1 PHE A 62 -1.707 9.522 -4.613 1.00 1.85 C ATOM 857 CE2 PHE A 62 0.565 8.742 -4.223 1.00 1.63 C ATOM 858 CZ PHE A 62 -0.710 8.545 -4.781 1.00 1.05 C ATOM 0 H PHE A 62 0.780 14.188 -1.472 1.00 1.25 H new ATOM 0 HA PHE A 62 -1.626 12.873 -1.997 1.00 1.10 H new ATOM 0 HB2 PHE A 62 0.221 13.033 -3.542 1.00 1.20 H new ATOM 0 HB3 PHE A 62 1.289 12.189 -2.438 1.00 1.20 H new ATOM 0 HD1 PHE A 62 -2.141 11.514 -3.901 1.00 1.91 H new ATOM 0 HD2 PHE A 62 1.805 10.034 -3.027 1.00 1.51 H new ATOM 0 HE1 PHE A 62 -2.709 9.341 -4.973 1.00 1.85 H new ATOM 0 HE2 PHE A 62 1.328 7.987 -4.342 1.00 1.63 H new ATOM 0 HZ PHE A 62 -0.923 7.645 -5.338 1.00 1.05 H new ATOM 868 N THR A 63 -2.019 11.179 -0.273 1.00 1.11 N ATOM 869 CA THR A 63 -2.335 10.350 0.871 1.00 0.87 C ATOM 870 C THR A 63 -2.131 8.878 0.517 1.00 0.94 C ATOM 871 O THR A 63 -2.138 8.487 -0.649 1.00 1.70 O ATOM 872 CB THR A 63 -3.755 10.666 1.367 1.00 0.74 C ATOM 873 OG1 THR A 63 -4.719 10.162 0.477 1.00 1.02 O ATOM 874 CG2 THR A 63 -3.990 12.170 1.532 1.00 1.16 C ATOM 0 H THR A 63 -2.833 11.443 -0.828 1.00 1.11 H new ATOM 0 HA THR A 63 -1.659 10.569 1.697 1.00 0.87 H new ATOM 0 HB THR A 63 -3.852 10.186 2.341 1.00 0.74 H new ATOM 0 HG1 THR A 63 -5.548 9.975 0.965 1.00 1.02 H new ATOM 0 HG21 THR A 63 -5.007 12.343 1.884 1.00 1.16 H new ATOM 0 HG22 THR A 63 -3.282 12.572 2.257 1.00 1.16 H new ATOM 0 HG23 THR A 63 -3.849 12.668 0.573 1.00 1.16 H new ATOM 882 N GLY A 64 -1.952 8.030 1.529 1.00 0.50 N ATOM 883 CA GLY A 64 -1.860 6.603 1.275 1.00 0.45 C ATOM 884 C GLY A 64 -3.226 6.071 0.851 1.00 0.38 C ATOM 885 O GLY A 64 -3.315 5.225 -0.034 1.00 0.44 O ATOM 0 H GLY A 64 -1.870 8.302 2.509 1.00 0.50 H new ATOM 0 HA2 GLY A 64 -1.124 6.409 0.495 1.00 0.45 H new ATOM 0 HA3 GLY A 64 -1.519 6.085 2.171 1.00 0.45 H new ATOM 889 N ARG A 65 -4.292 6.592 1.463 1.00 0.38 N ATOM 890 CA ARG A 65 -5.657 6.280 1.067 1.00 0.47 C ATOM 891 C ARG A 65 -5.830 6.563 -0.430 1.00 0.54 C ATOM 892 O ARG A 65 -6.181 5.666 -1.196 1.00 0.56 O ATOM 893 CB ARG A 65 -6.616 7.115 1.923 1.00 0.55 C ATOM 894 CG ARG A 65 -8.034 6.552 1.860 1.00 0.94 C ATOM 895 CD ARG A 65 -8.992 7.493 2.596 1.00 1.43 C ATOM 896 NE ARG A 65 -10.376 7.015 2.511 1.00 1.89 N ATOM 897 CZ ARG A 65 -10.902 5.968 3.159 1.00 2.62 C ATOM 898 NH1 ARG A 65 -10.187 5.319 4.076 1.00 3.77 N ATOM 899 NH2 ARG A 65 -12.147 5.594 2.877 1.00 3.16 N ATOM 0 H ARG A 65 -4.227 7.242 2.247 1.00 0.38 H new ATOM 0 HA ARG A 65 -5.880 5.226 1.230 1.00 0.47 H new ATOM 0 HB2 ARG A 65 -6.271 7.127 2.957 1.00 0.55 H new ATOM 0 HB3 ARG A 65 -6.615 8.148 1.575 1.00 0.55 H new ATOM 0 HG2 ARG A 65 -8.345 6.438 0.822 1.00 0.94 H new ATOM 0 HG3 ARG A 65 -8.063 5.560 2.312 1.00 0.94 H new ATOM 0 HD2 ARG A 65 -8.696 7.572 3.642 1.00 1.43 H new ATOM 0 HD3 ARG A 65 -8.923 8.493 2.168 1.00 1.43 H new ATOM 0 HE ARG A 65 -11.002 7.533 1.895 1.00 1.89 H new ATOM 0 HH11 ARG A 65 -9.235 5.619 4.287 1.00 3.77 H new ATOM 0 HH12 ARG A 65 -10.591 4.522 4.568 1.00 3.77 H new ATOM 0 HH21 ARG A 65 -12.686 6.103 2.176 1.00 3.16 H new ATOM 0 HH22 ARG A 65 -12.563 4.798 3.362 1.00 3.16 H new ATOM 913 N ALA A 66 -5.534 7.797 -0.848 1.00 0.63 N ATOM 914 CA ALA A 66 -5.586 8.197 -2.246 1.00 0.75 C ATOM 915 C ALA A 66 -4.691 7.288 -3.081 1.00 0.72 C ATOM 916 O ALA A 66 -5.045 6.961 -4.204 1.00 0.78 O ATOM 917 CB ALA A 66 -5.172 9.660 -2.422 1.00 0.87 C ATOM 0 H ALA A 66 -5.250 8.547 -0.217 1.00 0.63 H new ATOM 0 HA ALA A 66 -6.616 8.099 -2.590 1.00 0.75 H new ATOM 0 HB1 ALA A 66 -5.221 9.928 -3.477 1.00 0.87 H new ATOM 0 HB2 ALA A 66 -5.847 10.300 -1.853 1.00 0.87 H new ATOM 0 HB3 ALA A 66 -4.153 9.796 -2.061 1.00 0.87 H new ATOM 923 N ALA A 67 -3.539 6.857 -2.563 1.00 0.66 N ATOM 924 CA ALA A 67 -2.698 5.928 -3.297 1.00 0.68 C ATOM 925 C ALA A 67 -3.436 4.622 -3.585 1.00 0.60 C ATOM 926 O ALA A 67 -3.514 4.228 -4.744 1.00 0.67 O ATOM 927 CB ALA A 67 -1.349 5.717 -2.615 1.00 0.66 C ATOM 0 H ALA A 67 -3.177 7.135 -1.651 1.00 0.66 H new ATOM 0 HA ALA A 67 -2.472 6.376 -4.265 1.00 0.68 H new ATOM 0 HB1 ALA A 67 -0.752 5.015 -3.198 1.00 0.66 H new ATOM 0 HB2 ALA A 67 -0.824 6.669 -2.545 1.00 0.66 H new ATOM 0 HB3 ALA A 67 -1.506 5.315 -1.614 1.00 0.66 H new ATOM 933 N VAL A 68 -4.010 3.953 -2.583 1.00 0.50 N ATOM 934 CA VAL A 68 -4.783 2.740 -2.868 1.00 0.49 C ATOM 935 C VAL A 68 -5.908 3.055 -3.850 1.00 0.59 C ATOM 936 O VAL A 68 -6.101 2.351 -4.836 1.00 0.60 O ATOM 937 CB VAL A 68 -5.345 2.058 -1.613 1.00 0.46 C ATOM 938 CG1 VAL A 68 -5.878 0.663 -1.981 1.00 0.48 C ATOM 939 CG2 VAL A 68 -4.263 1.860 -0.562 1.00 0.41 C ATOM 0 H VAL A 68 -3.959 4.217 -1.599 1.00 0.50 H new ATOM 0 HA VAL A 68 -4.087 2.028 -3.313 1.00 0.49 H new ATOM 0 HB VAL A 68 -6.134 2.698 -1.218 1.00 0.46 H new ATOM 0 HG11 VAL A 68 -6.277 0.179 -1.089 1.00 0.48 H new ATOM 0 HG12 VAL A 68 -6.668 0.760 -2.726 1.00 0.48 H new ATOM 0 HG13 VAL A 68 -5.067 0.060 -2.389 1.00 0.48 H new ATOM 0 HG21 VAL A 68 -4.692 1.375 0.315 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -3.469 1.235 -0.971 1.00 0.41 H new ATOM 0 HG23 VAL A 68 -3.852 2.828 -0.276 1.00 0.41 H new ATOM 949 N GLN A 69 -6.645 4.130 -3.595 1.00 0.71 N ATOM 950 CA GLN A 69 -7.674 4.594 -4.506 1.00 0.83 C ATOM 951 C GLN A 69 -7.104 4.753 -5.921 1.00 0.89 C ATOM 952 O GLN A 69 -7.760 4.393 -6.895 1.00 0.96 O ATOM 953 CB GLN A 69 -8.277 5.887 -3.948 1.00 0.87 C ATOM 954 CG GLN A 69 -9.150 5.608 -2.730 1.00 0.90 C ATOM 955 CD GLN A 69 -9.805 6.871 -2.190 1.00 1.74 C ATOM 956 OE1 GLN A 69 -9.295 7.513 -1.278 1.00 3.43 O ATOM 957 NE2 GLN A 69 -10.954 7.254 -2.730 1.00 1.94 N ATOM 0 H GLN A 69 -6.544 4.699 -2.754 1.00 0.71 H new ATOM 0 HA GLN A 69 -8.477 3.861 -4.587 1.00 0.83 H new ATOM 0 HB2 GLN A 69 -7.478 6.576 -3.675 1.00 0.87 H new ATOM 0 HB3 GLN A 69 -8.871 6.377 -4.720 1.00 0.87 H new ATOM 0 HG2 GLN A 69 -9.922 4.886 -2.996 1.00 0.90 H new ATOM 0 HG3 GLN A 69 -8.544 5.152 -1.947 1.00 0.90 H new ATOM 0 HE21 GLN A 69 -11.367 6.711 -3.488 1.00 1.94 H new ATOM 0 HE22 GLN A 69 -11.424 8.092 -2.387 1.00 1.94 H new ATOM 966 N LEU A 70 -5.875 5.240 -6.066 1.00 0.89 N ATOM 967 CA LEU A 70 -5.274 5.494 -7.359 1.00 0.97 C ATOM 968 C LEU A 70 -4.980 4.120 -7.977 1.00 0.83 C ATOM 969 O LEU A 70 -5.200 3.897 -9.164 1.00 0.87 O ATOM 970 CB LEU A 70 -4.091 6.456 -7.136 1.00 1.16 C ATOM 971 CG LEU A 70 -3.049 6.704 -8.232 1.00 1.28 C ATOM 972 CD1 LEU A 70 -2.016 5.587 -8.351 1.00 1.98 C ATOM 973 CD2 LEU A 70 -3.691 7.059 -9.576 1.00 2.66 C ATOM 0 H LEU A 70 -5.268 5.469 -5.279 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.900 6.007 -8.089 1.00 0.97 H new ATOM 0 HB2 LEU A 70 -4.515 7.426 -6.875 1.00 1.16 H new ATOM 0 HB3 LEU A 70 -3.551 6.098 -6.259 1.00 1.16 H new ATOM 0 HG LEU A 70 -2.488 7.583 -7.913 1.00 1.28 H new ATOM 0 HD11 LEU A 70 -1.310 5.828 -9.146 1.00 1.98 H new ATOM 0 HD12 LEU A 70 -1.480 5.485 -7.407 1.00 1.98 H new ATOM 0 HD13 LEU A 70 -2.520 4.649 -8.585 1.00 1.98 H new ATOM 0 HD21 LEU A 70 -2.911 7.225 -10.319 1.00 2.66 H new ATOM 0 HD22 LEU A 70 -4.333 6.240 -9.900 1.00 2.66 H new ATOM 0 HD23 LEU A 70 -4.287 7.965 -9.467 1.00 2.66 H new ATOM 985 N TRP A 71 -4.563 3.152 -7.161 1.00 0.73 N ATOM 986 CA TRP A 71 -4.383 1.761 -7.575 1.00 0.71 C ATOM 987 C TRP A 71 -5.703 1.116 -8.004 1.00 0.73 C ATOM 988 O TRP A 71 -5.679 0.179 -8.797 1.00 1.02 O ATOM 989 CB TRP A 71 -3.686 0.938 -6.475 1.00 0.66 C ATOM 990 CG TRP A 71 -2.446 1.551 -5.896 1.00 0.65 C ATOM 991 CD1 TRP A 71 -1.753 2.553 -6.471 1.00 0.74 C ATOM 992 CD2 TRP A 71 -1.787 1.307 -4.612 1.00 0.57 C ATOM 993 NE1 TRP A 71 -0.865 3.072 -5.568 1.00 0.73 N ATOM 994 CE2 TRP A 71 -0.773 2.295 -4.435 1.00 0.59 C ATOM 995 CE3 TRP A 71 -1.959 0.382 -3.561 1.00 0.56 C ATOM 996 CZ2 TRP A 71 0.027 2.360 -3.284 1.00 0.55 C ATOM 997 CZ3 TRP A 71 -1.144 0.417 -2.414 1.00 0.57 C ATOM 998 CH2 TRP A 71 -0.155 1.407 -2.274 1.00 0.57 C ATOM 0 H TRP A 71 -4.338 3.315 -6.180 1.00 0.73 H new ATOM 0 HA TRP A 71 -3.733 1.767 -8.450 1.00 0.71 H new ATOM 0 HB2 TRP A 71 -4.398 0.769 -5.667 1.00 0.66 H new ATOM 0 HB3 TRP A 71 -3.430 -0.039 -6.884 1.00 0.66 H new ATOM 0 HD1 TRP A 71 -1.879 2.894 -7.488 1.00 0.74 H new ATOM 0 HE1 TRP A 71 -0.335 3.931 -5.716 1.00 0.73 H new ATOM 0 HE3 TRP A 71 -2.732 -0.368 -3.638 1.00 0.56 H new ATOM 0 HZ2 TRP A 71 0.773 3.134 -3.178 1.00 0.55 H new ATOM 0 HZ3 TRP A 71 -1.279 -0.321 -1.637 1.00 0.57 H new ATOM 0 HH2 TRP A 71 0.463 1.432 -1.389 1.00 0.57 H new ATOM 1009 N VAL A 72 -6.841 1.587 -7.495 1.00 0.59 N ATOM 1010 CA VAL A 72 -8.162 1.130 -7.917 1.00 0.56 C ATOM 1011 C VAL A 72 -8.640 1.896 -9.156 1.00 0.60 C ATOM 1012 O VAL A 72 -9.442 1.368 -9.930 1.00 0.69 O ATOM 1013 CB VAL A 72 -9.138 1.153 -6.727 1.00 0.62 C ATOM 1014 CG1 VAL A 72 -10.549 0.672 -7.096 1.00 0.65 C ATOM 1015 CG2 VAL A 72 -8.633 0.200 -5.637 1.00 0.61 C ATOM 0 H VAL A 72 -6.871 2.304 -6.770 1.00 0.59 H new ATOM 0 HA VAL A 72 -8.110 0.089 -8.236 1.00 0.56 H new ATOM 0 HB VAL A 72 -9.187 2.191 -6.396 1.00 0.62 H new ATOM 0 HG11 VAL A 72 -11.189 0.712 -6.215 1.00 0.65 H new ATOM 0 HG12 VAL A 72 -10.961 1.316 -7.873 1.00 0.65 H new ATOM 0 HG13 VAL A 72 -10.500 -0.353 -7.462 1.00 0.65 H new ATOM 0 HG21 VAL A 72 -9.323 0.215 -4.793 1.00 0.61 H new ATOM 0 HG22 VAL A 72 -8.572 -0.812 -6.038 1.00 0.61 H new ATOM 0 HG23 VAL A 72 -7.645 0.519 -5.304 1.00 0.61 H new ATOM 1025 N SER A 73 -8.085 3.082 -9.430 1.00 0.74 N ATOM 1026 CA SER A 73 -8.415 3.823 -10.638 1.00 0.78 C ATOM 1027 C SER A 73 -8.230 3.011 -11.922 1.00 0.59 C ATOM 1028 O SER A 73 -8.834 3.379 -12.924 1.00 0.66 O ATOM 1029 CB SER A 73 -7.648 5.140 -10.737 1.00 1.09 C ATOM 1030 OG SER A 73 -7.786 5.907 -9.558 1.00 2.21 O ATOM 0 H SER A 73 -7.405 3.544 -8.826 1.00 0.74 H new ATOM 0 HA SER A 73 -9.478 4.045 -10.546 1.00 0.78 H new ATOM 0 HB2 SER A 73 -6.593 4.936 -10.918 1.00 1.09 H new ATOM 0 HB3 SER A 73 -8.013 5.712 -11.590 1.00 1.09 H new ATOM 0 HG SER A 73 -7.283 6.743 -9.651 1.00 2.21 H new ATOM 1036 N GLU A 74 -7.487 1.898 -11.903 1.00 0.60 N ATOM 1037 CA GLU A 74 -7.387 0.983 -13.036 1.00 0.67 C ATOM 1038 C GLU A 74 -8.729 0.290 -13.381 1.00 0.68 C ATOM 1039 O GLU A 74 -8.756 -0.589 -14.239 1.00 0.98 O ATOM 1040 CB GLU A 74 -6.274 -0.058 -12.802 1.00 0.84 C ATOM 1041 CG GLU A 74 -5.010 0.409 -12.051 1.00 1.66 C ATOM 1042 CD GLU A 74 -4.180 1.484 -12.719 1.00 2.53 C ATOM 1043 OE1 GLU A 74 -4.645 2.120 -13.686 1.00 3.05 O ATOM 1044 OE2 GLU A 74 -3.050 1.698 -12.231 1.00 3.81 O ATOM 0 H GLU A 74 -6.937 1.609 -11.094 1.00 0.60 H new ATOM 0 HA GLU A 74 -7.126 1.591 -13.902 1.00 0.67 H new ATOM 0 HB2 GLU A 74 -6.705 -0.893 -12.249 1.00 0.84 H new ATOM 0 HB3 GLU A 74 -5.965 -0.444 -13.773 1.00 0.84 H new ATOM 0 HG2 GLU A 74 -5.313 0.774 -11.070 1.00 1.66 H new ATOM 0 HG3 GLU A 74 -4.372 -0.459 -11.885 1.00 1.66 H new ATOM 1051 N ARG A 75 -9.848 0.688 -12.775 1.00 0.68 N ATOM 1052 CA ARG A 75 -11.206 0.307 -13.113 1.00 0.97 C ATOM 1053 C ARG A 75 -11.506 0.066 -14.611 1.00 1.22 C ATOM 1054 O ARG A 75 -12.125 -0.947 -14.922 1.00 1.36 O ATOM 1055 CB ARG A 75 -12.122 1.390 -12.532 1.00 1.24 C ATOM 1056 CG ARG A 75 -12.653 1.081 -11.120 1.00 1.35 C ATOM 1057 CD ARG A 75 -14.160 1.355 -11.099 1.00 1.43 C ATOM 1058 NE ARG A 75 -14.762 1.167 -9.771 1.00 1.61 N ATOM 1059 CZ ARG A 75 -16.086 1.115 -9.547 1.00 2.44 C ATOM 1060 NH1 ARG A 75 -16.943 1.313 -10.548 1.00 3.37 N ATOM 1061 NH2 ARG A 75 -16.545 0.854 -8.327 1.00 3.58 N ATOM 0 H ARG A 75 -9.820 1.329 -11.982 1.00 0.68 H new ATOM 0 HA ARG A 75 -11.381 -0.678 -12.681 1.00 0.97 H new ATOM 0 HB2 ARG A 75 -11.577 2.334 -12.504 1.00 1.24 H new ATOM 0 HB3 ARG A 75 -12.969 1.531 -13.203 1.00 1.24 H new ATOM 0 HG2 ARG A 75 -12.453 0.042 -10.859 1.00 1.35 H new ATOM 0 HG3 ARG A 75 -12.145 1.699 -10.380 1.00 1.35 H new ATOM 0 HD2 ARG A 75 -14.342 2.377 -11.433 1.00 1.43 H new ATOM 0 HD3 ARG A 75 -14.653 0.694 -11.812 1.00 1.43 H new ATOM 0 HE ARG A 75 -14.137 1.070 -8.971 1.00 1.61 H new ATOM 0 HH11 ARG A 75 -16.595 1.505 -11.487 1.00 3.37 H new ATOM 0 HH12 ARG A 75 -17.947 1.273 -10.375 1.00 3.37 H new ATOM 0 HH21 ARG A 75 -15.892 0.693 -7.560 1.00 3.58 H new ATOM 0 HH22 ARG A 75 -17.550 0.815 -8.158 1.00 3.58 H new ATOM 1075 N PRO A 76 -11.152 0.946 -15.564 1.00 1.45 N ATOM 1076 CA PRO A 76 -11.444 0.726 -16.979 1.00 1.77 C ATOM 1077 C PRO A 76 -10.418 -0.200 -17.653 1.00 1.95 C ATOM 1078 O PRO A 76 -10.336 -0.233 -18.881 1.00 2.75 O ATOM 1079 CB PRO A 76 -11.390 2.127 -17.601 1.00 1.91 C ATOM 1080 CG PRO A 76 -10.284 2.787 -16.781 1.00 1.82 C ATOM 1081 CD PRO A 76 -10.609 2.278 -15.378 1.00 1.51 C ATOM 0 HA PRO A 76 -12.407 0.233 -17.112 1.00 1.77 H new ATOM 0 HB2 PRO A 76 -11.148 2.094 -18.663 1.00 1.91 H new ATOM 0 HB3 PRO A 76 -12.340 2.654 -17.507 1.00 1.91 H new ATOM 0 HG2 PRO A 76 -9.291 2.482 -17.109 1.00 1.82 H new ATOM 0 HG3 PRO A 76 -10.320 3.875 -16.842 1.00 1.82 H new ATOM 0 HD2 PRO A 76 -9.716 2.254 -14.753 1.00 1.51 H new ATOM 0 HD3 PRO A 76 -11.328 2.929 -14.881 1.00 1.51 H new ATOM 1089 N SER A 77 -9.573 -0.902 -16.897 1.00 1.48 N ATOM 1090 CA SER A 77 -8.531 -1.750 -17.454 1.00 1.78 C ATOM 1091 C SER A 77 -8.436 -3.097 -16.749 1.00 1.92 C ATOM 1092 O SER A 77 -8.150 -4.096 -17.396 1.00 2.08 O ATOM 1093 CB SER A 77 -7.209 -0.988 -17.466 1.00 1.89 C ATOM 1094 OG SER A 77 -6.889 -0.439 -16.204 1.00 1.87 O ATOM 0 H SER A 77 -9.596 -0.895 -15.877 1.00 1.48 H new ATOM 0 HA SER A 77 -8.792 -1.994 -18.484 1.00 1.78 H new ATOM 0 HB2 SER A 77 -6.409 -1.659 -17.780 1.00 1.89 H new ATOM 0 HB3 SER A 77 -7.261 -0.188 -18.204 1.00 1.89 H new ATOM 0 HG SER A 77 -7.598 -0.656 -15.563 1.00 1.87 H new ATOM 1100 N TYR A 78 -8.705 -3.165 -15.452 1.00 1.92 N ATOM 1101 CA TYR A 78 -8.957 -4.450 -14.826 1.00 1.92 C ATOM 1102 C TYR A 78 -10.439 -4.726 -15.100 1.00 1.88 C ATOM 1103 O TYR A 78 -11.244 -3.801 -15.039 1.00 2.03 O ATOM 1104 CB TYR A 78 -8.593 -4.388 -13.330 1.00 1.99 C ATOM 1105 CG TYR A 78 -9.759 -4.173 -12.389 1.00 1.57 C ATOM 1106 CD1 TYR A 78 -10.635 -5.246 -12.152 1.00 2.26 C ATOM 1107 CD2 TYR A 78 -9.972 -2.942 -11.736 1.00 2.62 C ATOM 1108 CE1 TYR A 78 -11.782 -5.057 -11.377 1.00 2.35 C ATOM 1109 CE2 TYR A 78 -11.086 -2.787 -10.892 1.00 2.67 C ATOM 1110 CZ TYR A 78 -12.016 -3.829 -10.753 1.00 1.79 C ATOM 1111 OH TYR A 78 -12.936 -3.777 -9.753 1.00 2.20 O ATOM 0 H TYR A 78 -8.753 -2.361 -14.826 1.00 1.92 H new ATOM 0 HA TYR A 78 -8.348 -5.264 -15.220 1.00 1.92 H new ATOM 0 HB2 TYR A 78 -8.093 -5.317 -13.056 1.00 1.99 H new ATOM 0 HB3 TYR A 78 -7.874 -3.583 -13.181 1.00 1.99 H new ATOM 0 HD1 TYR A 78 -10.421 -6.219 -12.570 1.00 2.26 H new ATOM 0 HD2 TYR A 78 -9.284 -2.123 -11.883 1.00 2.62 H new ATOM 0 HE1 TYR A 78 -12.491 -5.863 -11.260 1.00 2.35 H new ATOM 0 HE2 TYR A 78 -11.226 -1.864 -10.349 1.00 2.67 H new ATOM 0 HH TYR A 78 -12.569 -4.200 -8.949 1.00 2.20 H new ATOM 1121 N ASN A 79 -10.810 -5.951 -15.472 1.00 1.78 N ATOM 1122 CA ASN A 79 -12.193 -6.255 -15.814 1.00 1.83 C ATOM 1123 C ASN A 79 -12.438 -7.746 -15.608 1.00 1.88 C ATOM 1124 O ASN A 79 -11.587 -8.550 -15.991 1.00 2.53 O ATOM 1125 CB ASN A 79 -12.477 -5.833 -17.263 1.00 2.05 C ATOM 1126 CG ASN A 79 -13.969 -5.912 -17.544 1.00 2.28 C ATOM 1127 OD1 ASN A 79 -14.495 -7.099 -17.802 1.00 3.25 O flip ATOM 1128 ND2 ASN A 79 -14.665 -4.900 -17.516 1.00 2.78 N flip ATOM 0 H ASN A 79 -10.172 -6.744 -15.543 1.00 1.78 H new ATOM 0 HA ASN A 79 -12.873 -5.699 -15.168 1.00 1.83 H new ATOM 0 HB2 ASN A 79 -12.120 -4.817 -17.431 1.00 2.05 H new ATOM 0 HB3 ASN A 79 -11.934 -6.480 -17.952 1.00 2.05 H new ATOM 0 HD21 ASN A 79 -14.241 -3.995 -17.315 1.00 2.78 H new ATOM 0 HD22 ASN A 79 -15.667 -4.965 -17.693 1.00 2.78 H new ATOM 1135 N TYR A 80 -13.552 -8.147 -14.990 1.00 1.61 N ATOM 1136 CA TYR A 80 -13.722 -9.548 -14.612 1.00 1.65 C ATOM 1137 C TYR A 80 -13.703 -10.443 -15.852 1.00 2.22 C ATOM 1138 O TYR A 80 -12.953 -11.412 -15.879 1.00 3.01 O ATOM 1139 CB TYR A 80 -14.922 -9.775 -13.671 1.00 1.71 C ATOM 1140 CG TYR A 80 -14.777 -10.912 -12.661 1.00 1.61 C ATOM 1141 CD1 TYR A 80 -14.432 -12.212 -13.082 1.00 2.84 C ATOM 1142 CD2 TYR A 80 -15.106 -10.701 -11.306 1.00 1.72 C ATOM 1143 CE1 TYR A 80 -14.364 -13.268 -12.160 1.00 2.87 C ATOM 1144 CE2 TYR A 80 -15.063 -11.767 -10.387 1.00 1.73 C ATOM 1145 CZ TYR A 80 -14.700 -13.055 -10.817 1.00 1.69 C ATOM 1146 OH TYR A 80 -14.684 -14.112 -9.955 1.00 1.90 O ATOM 0 H TYR A 80 -14.332 -7.536 -14.746 1.00 1.61 H new ATOM 0 HA TYR A 80 -12.866 -9.846 -14.007 1.00 1.65 H new ATOM 0 HB2 TYR A 80 -15.108 -8.851 -13.123 1.00 1.71 H new ATOM 0 HB3 TYR A 80 -15.805 -9.968 -14.281 1.00 1.71 H new ATOM 0 HD1 TYR A 80 -14.218 -12.397 -14.124 1.00 2.84 H new ATOM 0 HD2 TYR A 80 -15.393 -9.715 -10.971 1.00 1.72 H new ATOM 0 HE1 TYR A 80 -14.051 -14.249 -12.487 1.00 2.87 H new ATOM 0 HE2 TYR A 80 -15.309 -11.595 -9.350 1.00 1.73 H new ATOM 0 HH TYR A 80 -14.939 -13.807 -9.059 1.00 1.90 H new ATOM 1156 N ALA A 81 -14.443 -10.062 -16.899 1.00 2.88 N ATOM 1157 CA ALA A 81 -14.602 -10.827 -18.137 1.00 3.40 C ATOM 1158 C ALA A 81 -13.301 -11.436 -18.668 1.00 3.83 C ATOM 1159 O ALA A 81 -13.309 -12.536 -19.211 1.00 4.45 O ATOM 1160 CB ALA A 81 -15.230 -9.950 -19.223 1.00 3.47 C ATOM 0 H ALA A 81 -14.963 -9.185 -16.907 1.00 2.88 H new ATOM 0 HA ALA A 81 -15.257 -11.661 -17.885 1.00 3.40 H new ATOM 0 HB1 ALA A 81 -15.343 -10.530 -20.139 1.00 3.47 H new ATOM 0 HB2 ALA A 81 -16.208 -9.603 -18.890 1.00 3.47 H new ATOM 0 HB3 ALA A 81 -14.586 -9.091 -19.415 1.00 3.47 H new ATOM 1166 N THR A 82 -12.184 -10.723 -18.564 1.00 3.70 N ATOM 1167 CA THR A 82 -10.923 -11.156 -19.140 1.00 4.16 C ATOM 1168 C THR A 82 -10.112 -11.927 -18.090 1.00 3.51 C ATOM 1169 O THR A 82 -9.229 -12.718 -18.426 1.00 3.55 O ATOM 1170 CB THR A 82 -10.202 -9.886 -19.619 1.00 4.76 C ATOM 1171 OG1 THR A 82 -10.375 -8.848 -18.669 1.00 4.36 O ATOM 1172 CG2 THR A 82 -10.828 -9.389 -20.926 1.00 5.44 C ATOM 0 H THR A 82 -12.131 -9.828 -18.077 1.00 3.70 H new ATOM 0 HA THR A 82 -11.064 -11.836 -19.980 1.00 4.16 H new ATOM 0 HB THR A 82 -9.148 -10.129 -19.755 1.00 4.76 H new ATOM 0 HG1 THR A 82 -9.525 -8.679 -18.211 1.00 4.36 H new ATOM 0 HG21 THR A 82 -10.311 -8.489 -21.258 1.00 5.44 H new ATOM 0 HG22 THR A 82 -10.738 -10.162 -21.690 1.00 5.44 H new ATOM 0 HG23 THR A 82 -11.881 -9.162 -20.762 1.00 5.44 H new ATOM 1180 N ASN A 83 -10.403 -11.692 -16.810 1.00 3.04 N ATOM 1181 CA ASN A 83 -9.720 -12.261 -15.657 1.00 2.53 C ATOM 1182 C ASN A 83 -8.235 -11.875 -15.615 1.00 2.45 C ATOM 1183 O ASN A 83 -7.431 -12.441 -14.881 1.00 2.43 O ATOM 1184 CB ASN A 83 -9.999 -13.761 -15.539 1.00 2.54 C ATOM 1185 CG ASN A 83 -9.435 -14.321 -14.242 1.00 2.30 C ATOM 1186 OD1 ASN A 83 -8.454 -15.051 -14.268 1.00 2.85 O ATOM 1187 ND2 ASN A 83 -10.057 -14.013 -13.109 1.00 1.94 N ATOM 0 H ASN A 83 -11.162 -11.066 -16.540 1.00 3.04 H new ATOM 0 HA ASN A 83 -10.136 -11.817 -14.753 1.00 2.53 H new ATOM 0 HB2 ASN A 83 -11.074 -13.939 -15.579 1.00 2.54 H new ATOM 0 HB3 ASN A 83 -9.558 -14.284 -16.387 1.00 2.54 H new ATOM 0 HD21 ASN A 83 -9.719 -14.389 -12.223 1.00 1.94 H new ATOM 0 HD22 ASN A 83 -10.873 -13.401 -13.125 1.00 1.94 H new ATOM 1194 N GLN A 84 -7.864 -10.863 -16.392 1.00 2.66 N ATOM 1195 CA GLN A 84 -6.548 -10.269 -16.431 1.00 2.73 C ATOM 1196 C GLN A 84 -6.745 -8.857 -16.959 1.00 2.66 C ATOM 1197 O GLN A 84 -7.811 -8.546 -17.494 1.00 2.94 O ATOM 1198 CB GLN A 84 -5.606 -11.112 -17.304 1.00 3.40 C ATOM 1199 CG GLN A 84 -6.091 -11.264 -18.755 1.00 3.71 C ATOM 1200 CD GLN A 84 -5.501 -12.509 -19.410 1.00 4.19 C ATOM 1201 OE1 GLN A 84 -5.780 -13.631 -18.996 1.00 4.44 O ATOM 1202 NE2 GLN A 84 -4.669 -12.338 -20.432 1.00 5.30 N ATOM 0 H GLN A 84 -8.512 -10.418 -17.042 1.00 2.66 H new ATOM 0 HA GLN A 84 -6.076 -10.235 -15.449 1.00 2.73 H new ATOM 0 HB2 GLN A 84 -4.617 -10.654 -17.305 1.00 3.40 H new ATOM 0 HB3 GLN A 84 -5.498 -12.101 -16.859 1.00 3.40 H new ATOM 0 HG2 GLN A 84 -7.179 -11.323 -18.773 1.00 3.71 H new ATOM 0 HG3 GLN A 84 -5.810 -10.381 -19.329 1.00 3.71 H new ATOM 0 HE21 GLN A 84 -4.451 -11.397 -20.760 1.00 5.30 H new ATOM 0 HE22 GLN A 84 -4.249 -13.148 -20.888 1.00 5.30 H new ATOM 1211 N CYS A 85 -5.731 -8.007 -16.815 1.00 2.73 N ATOM 1212 CA CYS A 85 -5.801 -6.672 -17.384 1.00 2.71 C ATOM 1213 C CYS A 85 -6.102 -6.667 -18.878 1.00 2.84 C ATOM 1214 O CYS A 85 -5.554 -7.476 -19.626 1.00 3.26 O ATOM 1215 CB CYS A 85 -4.575 -5.835 -17.072 1.00 2.75 C ATOM 1216 SG CYS A 85 -4.893 -4.106 -17.470 1.00 3.67 S ATOM 0 H CYS A 85 -4.866 -8.218 -16.317 1.00 2.73 H new ATOM 0 HA CYS A 85 -6.651 -6.202 -16.890 1.00 2.71 H new ATOM 0 HB2 CYS A 85 -4.316 -5.933 -16.018 1.00 2.75 H new ATOM 0 HB3 CYS A 85 -3.721 -6.198 -17.645 1.00 2.75 H new ATOM 1221 N VAL A 86 -6.977 -5.761 -19.293 1.00 2.76 N ATOM 1222 CA VAL A 86 -7.392 -5.541 -20.661 1.00 2.90 C ATOM 1223 C VAL A 86 -6.165 -5.006 -21.406 1.00 3.13 C ATOM 1224 O VAL A 86 -5.452 -4.142 -20.888 1.00 3.17 O ATOM 1225 CB VAL A 86 -8.524 -4.495 -20.644 1.00 2.58 C ATOM 1226 CG1 VAL A 86 -8.727 -3.724 -21.950 1.00 2.67 C ATOM 1227 CG2 VAL A 86 -9.832 -5.065 -20.089 1.00 2.61 C ATOM 0 H VAL A 86 -7.439 -5.126 -18.642 1.00 2.76 H new ATOM 0 HA VAL A 86 -7.757 -6.446 -21.147 1.00 2.90 H new ATOM 0 HB VAL A 86 -8.173 -3.735 -19.946 1.00 2.58 H new ATOM 0 HG11 VAL A 86 -9.546 -3.015 -21.830 1.00 2.67 H new ATOM 0 HG12 VAL A 86 -7.813 -3.184 -22.200 1.00 2.67 H new ATOM 0 HG13 VAL A 86 -8.966 -4.423 -22.752 1.00 2.67 H new ATOM 0 HG21 VAL A 86 -10.599 -4.290 -20.097 1.00 2.61 H new ATOM 0 HG22 VAL A 86 -10.155 -5.902 -20.707 1.00 2.61 H new ATOM 0 HG23 VAL A 86 -9.674 -5.409 -19.067 1.00 2.61 H new ATOM 1237 N GLY A 87 -5.943 -5.491 -22.624 1.00 3.48 N ATOM 1238 CA GLY A 87 -4.886 -5.063 -23.527 1.00 3.79 C ATOM 1239 C GLY A 87 -3.545 -4.869 -22.813 1.00 4.31 C ATOM 1240 O GLY A 87 -2.896 -5.841 -22.416 1.00 5.10 O ATOM 0 H GLY A 87 -6.524 -6.228 -23.025 1.00 3.48 H new ATOM 0 HA2 GLY A 87 -4.768 -5.802 -24.319 1.00 3.79 H new ATOM 0 HA3 GLY A 87 -5.178 -4.128 -24.005 1.00 3.79 H new ATOM 1244 N GLY A 88 -3.113 -3.619 -22.656 1.00 4.61 N ATOM 1245 CA GLY A 88 -1.847 -3.279 -22.030 1.00 5.29 C ATOM 1246 C GLY A 88 -1.872 -1.827 -21.572 1.00 4.65 C ATOM 1247 O GLY A 88 -1.050 -1.015 -22.005 1.00 5.47 O ATOM 0 H GLY A 88 -3.644 -2.805 -22.966 1.00 4.61 H new ATOM 0 HA2 GLY A 88 -1.664 -3.935 -21.179 1.00 5.29 H new ATOM 0 HA3 GLY A 88 -1.029 -3.434 -22.734 1.00 5.29 H new ATOM 1251 N LYS A 89 -2.818 -1.491 -20.699 1.00 3.63 N ATOM 1252 CA LYS A 89 -2.809 -0.185 -20.062 1.00 3.45 C ATOM 1253 C LYS A 89 -1.692 -0.166 -19.017 1.00 3.49 C ATOM 1254 O LYS A 89 -1.192 -1.219 -18.607 1.00 3.88 O ATOM 1255 CB LYS A 89 -4.151 0.107 -19.414 1.00 3.60 C ATOM 1256 CG LYS A 89 -5.281 0.132 -20.465 1.00 4.14 C ATOM 1257 CD LYS A 89 -6.136 1.389 -20.255 1.00 5.50 C ATOM 1258 CE LYS A 89 -7.636 1.213 -20.570 1.00 6.42 C ATOM 1259 NZ LYS A 89 -7.993 1.617 -21.945 1.00 6.73 N ATOM 0 H LYS A 89 -3.589 -2.098 -20.422 1.00 3.63 H new ATOM 0 HA LYS A 89 -2.631 0.588 -20.810 1.00 3.45 H new ATOM 0 HB2 LYS A 89 -4.367 -0.651 -18.661 1.00 3.60 H new ATOM 0 HB3 LYS A 89 -4.108 1.066 -18.898 1.00 3.60 H new ATOM 0 HG2 LYS A 89 -4.859 0.128 -21.470 1.00 4.14 H new ATOM 0 HG3 LYS A 89 -5.898 -0.762 -20.375 1.00 4.14 H new ATOM 0 HD2 LYS A 89 -6.032 1.713 -19.219 1.00 5.50 H new ATOM 0 HD3 LYS A 89 -5.740 2.189 -20.880 1.00 5.50 H new ATOM 0 HE2 LYS A 89 -7.912 0.169 -20.422 1.00 6.42 H new ATOM 0 HE3 LYS A 89 -8.221 1.801 -19.862 1.00 6.42 H new ATOM 0 HZ1 LYS A 89 -9.012 1.475 -22.095 1.00 6.73 H new ATOM 0 HZ2 LYS A 89 -7.759 2.621 -22.084 1.00 6.73 H new ATOM 0 HZ3 LYS A 89 -7.460 1.040 -22.626 1.00 6.73 H new ATOM 1273 N LYS A 90 -1.348 1.017 -18.516 1.00 3.62 N ATOM 1274 CA LYS A 90 -0.631 1.129 -17.256 1.00 3.69 C ATOM 1275 C LYS A 90 -1.654 0.922 -16.152 1.00 3.25 C ATOM 1276 O LYS A 90 -2.036 1.839 -15.432 1.00 3.46 O ATOM 1277 CB LYS A 90 0.119 2.459 -17.162 1.00 4.34 C ATOM 1278 CG LYS A 90 1.432 2.424 -17.945 1.00 4.64 C ATOM 1279 CD LYS A 90 2.515 1.586 -17.250 1.00 4.78 C ATOM 1280 CE LYS A 90 3.898 1.952 -17.806 1.00 5.90 C ATOM 1281 NZ LYS A 90 4.971 1.189 -17.143 1.00 6.90 N ATOM 0 H LYS A 90 -1.555 1.909 -18.965 1.00 3.62 H new ATOM 0 HA LYS A 90 0.149 0.373 -17.166 1.00 3.69 H new ATOM 0 HB2 LYS A 90 -0.512 3.261 -17.545 1.00 4.34 H new ATOM 0 HB3 LYS A 90 0.325 2.688 -16.116 1.00 4.34 H new ATOM 0 HG2 LYS A 90 1.246 2.018 -18.939 1.00 4.64 H new ATOM 0 HG3 LYS A 90 1.797 3.442 -18.080 1.00 4.64 H new ATOM 0 HD2 LYS A 90 2.488 1.761 -16.175 1.00 4.78 H new ATOM 0 HD3 LYS A 90 2.321 0.525 -17.405 1.00 4.78 H new ATOM 0 HE2 LYS A 90 3.922 1.758 -18.878 1.00 5.90 H new ATOM 0 HE3 LYS A 90 4.074 3.019 -17.671 1.00 5.90 H new ATOM 0 HZ1 LYS A 90 5.891 1.463 -17.544 1.00 6.90 H new ATOM 0 HZ2 LYS A 90 4.964 1.394 -16.123 1.00 6.90 H new ATOM 0 HZ3 LYS A 90 4.817 0.171 -17.293 1.00 6.90 H new ATOM 1295 N CYS A 91 -2.048 -0.340 -16.053 1.00 2.82 N ATOM 1296 CA CYS A 91 -2.884 -0.893 -15.019 1.00 2.40 C ATOM 1297 C CYS A 91 -1.911 -1.438 -13.989 1.00 2.38 C ATOM 1298 O CYS A 91 -1.200 -0.672 -13.350 1.00 3.90 O ATOM 1299 CB CYS A 91 -3.854 -1.926 -15.615 1.00 2.49 C ATOM 1300 SG CYS A 91 -3.197 -3.102 -16.826 1.00 3.54 S ATOM 0 H CYS A 91 -1.770 -1.041 -16.740 1.00 2.82 H new ATOM 0 HA CYS A 91 -3.544 -0.169 -14.541 1.00 2.40 H new ATOM 0 HB2 CYS A 91 -4.282 -2.498 -14.791 1.00 2.49 H new ATOM 0 HB3 CYS A 91 -4.673 -1.383 -16.086 1.00 2.49 H new ATOM 1305 N ARG A 92 -1.786 -2.750 -13.852 1.00 1.08 N ATOM 1306 CA ARG A 92 -0.755 -3.417 -13.070 1.00 0.97 C ATOM 1307 C ARG A 92 -0.847 -3.228 -11.550 1.00 0.80 C ATOM 1308 O ARG A 92 -0.341 -4.071 -10.811 1.00 1.59 O ATOM 1309 CB ARG A 92 0.640 -3.056 -13.632 1.00 1.35 C ATOM 1310 CG ARG A 92 1.752 -4.087 -13.374 1.00 1.70 C ATOM 1311 CD ARG A 92 1.215 -5.488 -13.667 1.00 1.38 C ATOM 1312 NE ARG A 92 2.218 -6.439 -14.184 1.00 1.78 N ATOM 1313 CZ ARG A 92 2.391 -7.665 -13.663 1.00 2.16 C ATOM 1314 NH1 ARG A 92 2.201 -7.843 -12.360 1.00 3.08 N ATOM 1315 NH2 ARG A 92 2.698 -8.700 -14.440 1.00 2.79 N ATOM 0 H ARG A 92 -2.426 -3.405 -14.301 1.00 1.08 H new ATOM 0 HA ARG A 92 -0.931 -4.486 -13.188 1.00 0.97 H new ATOM 0 HB2 ARG A 92 0.550 -2.908 -14.708 1.00 1.35 H new ATOM 0 HB3 ARG A 92 0.948 -2.102 -13.203 1.00 1.35 H new ATOM 0 HG2 ARG A 92 2.615 -3.875 -14.006 1.00 1.70 H new ATOM 0 HG3 ARG A 92 2.091 -4.023 -12.340 1.00 1.70 H new ATOM 0 HD2 ARG A 92 0.786 -5.896 -12.752 1.00 1.38 H new ATOM 0 HD3 ARG A 92 0.404 -5.407 -14.391 1.00 1.38 H new ATOM 0 HE ARG A 92 2.804 -6.154 -14.969 1.00 1.78 H new ATOM 0 HH11 ARG A 92 1.928 -7.055 -11.772 1.00 3.08 H new ATOM 0 HH12 ARG A 92 2.328 -8.767 -11.948 1.00 3.08 H new ATOM 0 HH21 ARG A 92 2.805 -8.569 -15.446 1.00 2.79 H new ATOM 0 HH22 ARG A 92 2.826 -9.625 -14.030 1.00 2.79 H new ATOM 1329 N HIS A 93 -1.442 -2.141 -11.063 1.00 0.97 N ATOM 1330 CA HIS A 93 -1.548 -1.854 -9.644 1.00 0.79 C ATOM 1331 C HIS A 93 -2.710 -2.625 -9.020 1.00 0.61 C ATOM 1332 O HIS A 93 -2.463 -3.460 -8.153 1.00 0.65 O ATOM 1333 CB HIS A 93 -1.552 -0.333 -9.434 1.00 0.86 C ATOM 1334 CG HIS A 93 -0.197 0.302 -9.694 1.00 0.95 C ATOM 1335 ND1 HIS A 93 0.015 1.606 -10.118 1.00 1.34 N ATOM 1336 CD2 HIS A 93 1.023 -0.338 -9.688 1.00 0.88 C ATOM 1337 CE1 HIS A 93 1.323 1.747 -10.381 1.00 1.43 C ATOM 1338 NE2 HIS A 93 1.947 0.582 -10.141 1.00 1.19 N ATOM 0 H HIS A 93 -1.868 -1.428 -11.656 1.00 0.97 H new ATOM 0 HA HIS A 93 -0.677 -2.218 -9.099 1.00 0.79 H new ATOM 0 HB2 HIS A 93 -2.292 0.118 -10.095 1.00 0.86 H new ATOM 0 HB3 HIS A 93 -1.861 -0.113 -8.412 1.00 0.86 H new ATOM 0 HD2 HIS A 93 1.218 -1.357 -9.388 1.00 0.88 H new ATOM 0 HE1 HIS A 93 1.798 2.652 -10.730 1.00 1.43 H new ATOM 0 HE2 HIS A 93 2.943 0.406 -10.272 1.00 1.19 H new ATOM 1347 N TYR A 94 -3.948 -2.426 -9.486 1.00 0.56 N ATOM 1348 CA TYR A 94 -5.118 -3.119 -8.940 1.00 0.49 C ATOM 1349 C TYR A 94 -4.875 -4.618 -8.749 1.00 0.57 C ATOM 1350 O TYR A 94 -5.244 -5.188 -7.728 1.00 0.59 O ATOM 1351 CB TYR A 94 -6.342 -2.932 -9.842 1.00 0.48 C ATOM 1352 CG TYR A 94 -7.604 -3.554 -9.269 1.00 0.68 C ATOM 1353 CD1 TYR A 94 -8.307 -2.886 -8.252 1.00 1.91 C ATOM 1354 CD2 TYR A 94 -8.067 -4.804 -9.721 1.00 1.39 C ATOM 1355 CE1 TYR A 94 -9.551 -3.369 -7.814 1.00 2.19 C ATOM 1356 CE2 TYR A 94 -9.288 -5.311 -9.245 1.00 1.47 C ATOM 1357 CZ TYR A 94 -10.043 -4.581 -8.315 1.00 1.38 C ATOM 1358 OH TYR A 94 -11.289 -5.008 -7.970 1.00 1.78 O ATOM 0 H TYR A 94 -4.165 -1.784 -10.248 1.00 0.56 H new ATOM 0 HA TYR A 94 -5.303 -2.670 -7.964 1.00 0.49 H new ATOM 0 HB2 TYR A 94 -6.509 -1.867 -10.002 1.00 0.48 H new ATOM 0 HB3 TYR A 94 -6.138 -3.372 -10.818 1.00 0.48 H new ATOM 0 HD1 TYR A 94 -7.888 -1.996 -7.805 1.00 1.91 H new ATOM 0 HD2 TYR A 94 -7.485 -5.372 -10.432 1.00 1.39 H new ATOM 0 HE1 TYR A 94 -10.127 -2.808 -7.093 1.00 2.19 H new ATOM 0 HE2 TYR A 94 -9.647 -6.267 -9.597 1.00 1.47 H new ATOM 0 HH TYR A 94 -11.369 -5.029 -6.993 1.00 1.78 H new ATOM 1368 N THR A 95 -4.257 -5.262 -9.735 1.00 0.69 N ATOM 1369 CA THR A 95 -3.984 -6.687 -9.715 1.00 0.77 C ATOM 1370 C THR A 95 -3.241 -7.119 -8.441 1.00 0.86 C ATOM 1371 O THR A 95 -3.470 -8.215 -7.941 1.00 1.16 O ATOM 1372 CB THR A 95 -3.235 -7.035 -11.011 1.00 0.88 C ATOM 1373 OG1 THR A 95 -2.357 -5.980 -11.367 1.00 1.04 O ATOM 1374 CG2 THR A 95 -4.223 -7.175 -12.172 1.00 0.85 C ATOM 0 H THR A 95 -3.929 -4.797 -10.581 1.00 0.69 H new ATOM 0 HA THR A 95 -4.916 -7.252 -9.682 1.00 0.77 H new ATOM 0 HB THR A 95 -2.692 -7.964 -10.835 1.00 0.88 H new ATOM 0 HG1 THR A 95 -1.445 -6.205 -11.088 1.00 1.04 H new ATOM 0 HG21 THR A 95 -3.680 -7.422 -13.084 1.00 0.85 H new ATOM 0 HG22 THR A 95 -4.937 -7.968 -11.949 1.00 0.85 H new ATOM 0 HG23 THR A 95 -4.757 -6.235 -12.311 1.00 0.85 H new ATOM 1382 N GLN A 96 -2.369 -6.268 -7.894 1.00 0.69 N ATOM 1383 CA GLN A 96 -1.725 -6.529 -6.617 1.00 0.67 C ATOM 1384 C GLN A 96 -2.729 -6.387 -5.475 1.00 0.63 C ATOM 1385 O GLN A 96 -2.797 -7.234 -4.589 1.00 0.78 O ATOM 1386 CB GLN A 96 -0.595 -5.522 -6.403 1.00 0.67 C ATOM 1387 CG GLN A 96 0.100 -5.680 -5.046 1.00 1.03 C ATOM 1388 CD GLN A 96 0.721 -7.049 -4.820 1.00 1.00 C ATOM 1389 OE1 GLN A 96 1.896 -7.249 -5.095 1.00 2.08 O ATOM 1390 NE2 GLN A 96 -0.049 -8.006 -4.316 1.00 0.73 N ATOM 0 H GLN A 96 -2.095 -5.385 -8.326 1.00 0.69 H new ATOM 0 HA GLN A 96 -1.331 -7.545 -6.627 1.00 0.67 H new ATOM 0 HB2 GLN A 96 0.142 -5.637 -7.198 1.00 0.67 H new ATOM 0 HB3 GLN A 96 -0.996 -4.512 -6.484 1.00 0.67 H new ATOM 0 HG2 GLN A 96 0.878 -4.922 -4.958 1.00 1.03 H new ATOM 0 HG3 GLN A 96 -0.624 -5.487 -4.255 1.00 1.03 H new ATOM 0 HE21 GLN A 96 -1.026 -7.812 -4.096 1.00 0.73 H new ATOM 0 HE22 GLN A 96 0.336 -8.936 -4.149 1.00 0.73 H new ATOM 1399 N VAL A 97 -3.435 -5.259 -5.449 1.00 0.57 N ATOM 1400 CA VAL A 97 -4.350 -4.883 -4.378 1.00 0.60 C ATOM 1401 C VAL A 97 -5.340 -6.029 -4.163 1.00 0.68 C ATOM 1402 O VAL A 97 -5.567 -6.517 -3.051 1.00 0.91 O ATOM 1403 CB VAL A 97 -5.038 -3.562 -4.781 1.00 0.58 C ATOM 1404 CG1 VAL A 97 -6.022 -3.042 -3.728 1.00 0.64 C ATOM 1405 CG2 VAL A 97 -3.975 -2.483 -5.030 1.00 0.65 C ATOM 0 H VAL A 97 -3.384 -4.563 -6.193 1.00 0.57 H new ATOM 0 HA VAL A 97 -3.835 -4.716 -3.432 1.00 0.60 H new ATOM 0 HB VAL A 97 -5.608 -3.776 -5.685 1.00 0.58 H new ATOM 0 HG11 VAL A 97 -6.469 -2.111 -4.076 1.00 0.64 H new ATOM 0 HG12 VAL A 97 -6.805 -3.782 -3.565 1.00 0.64 H new ATOM 0 HG13 VAL A 97 -5.492 -2.862 -2.792 1.00 0.64 H new ATOM 0 HG21 VAL A 97 -4.463 -1.551 -5.315 1.00 0.65 H new ATOM 0 HG22 VAL A 97 -3.395 -2.326 -4.120 1.00 0.65 H new ATOM 0 HG23 VAL A 97 -3.311 -2.805 -5.832 1.00 0.65 H new ATOM 1415 N VAL A 98 -5.896 -6.484 -5.277 1.00 0.55 N ATOM 1416 CA VAL A 98 -6.892 -7.524 -5.337 1.00 0.65 C ATOM 1417 C VAL A 98 -6.296 -8.932 -5.331 1.00 0.92 C ATOM 1418 O VAL A 98 -7.044 -9.898 -5.399 1.00 1.44 O ATOM 1419 CB VAL A 98 -7.828 -7.205 -6.518 1.00 0.56 C ATOM 1420 CG1 VAL A 98 -7.772 -8.197 -7.681 1.00 0.78 C ATOM 1421 CG2 VAL A 98 -9.251 -7.104 -5.989 1.00 0.55 C ATOM 0 H VAL A 98 -5.650 -6.118 -6.197 1.00 0.55 H new ATOM 0 HA VAL A 98 -7.490 -7.534 -4.426 1.00 0.65 H new ATOM 0 HB VAL A 98 -7.480 -6.262 -6.941 1.00 0.56 H new ATOM 0 HG11 VAL A 98 -8.467 -7.884 -8.460 1.00 0.78 H new ATOM 0 HG12 VAL A 98 -6.761 -8.226 -8.086 1.00 0.78 H new ATOM 0 HG13 VAL A 98 -8.049 -9.190 -7.326 1.00 0.78 H new ATOM 0 HG21 VAL A 98 -9.930 -6.878 -6.811 1.00 0.55 H new ATOM 0 HG22 VAL A 98 -9.537 -8.051 -5.532 1.00 0.55 H new ATOM 0 HG23 VAL A 98 -9.307 -6.310 -5.244 1.00 0.55 H new ATOM 1431 N TRP A 99 -4.975 -9.075 -5.215 1.00 0.73 N ATOM 1432 CA TRP A 99 -4.344 -10.381 -5.277 1.00 0.75 C ATOM 1433 C TRP A 99 -4.912 -11.287 -4.187 1.00 0.70 C ATOM 1434 O TRP A 99 -4.708 -11.042 -2.998 1.00 0.57 O ATOM 1435 CB TRP A 99 -2.831 -10.230 -5.136 1.00 0.72 C ATOM 1436 CG TRP A 99 -2.045 -11.440 -5.506 1.00 0.77 C ATOM 1437 CD1 TRP A 99 -1.366 -12.257 -4.669 1.00 0.91 C ATOM 1438 CD2 TRP A 99 -1.799 -11.937 -6.848 1.00 0.79 C ATOM 1439 NE1 TRP A 99 -0.667 -13.187 -5.410 1.00 1.01 N ATOM 1440 CE2 TRP A 99 -0.882 -13.020 -6.762 1.00 0.94 C ATOM 1441 CE3 TRP A 99 -2.177 -11.506 -8.135 1.00 0.81 C ATOM 1442 CZ2 TRP A 99 -0.361 -13.627 -7.908 1.00 1.04 C ATOM 1443 CZ3 TRP A 99 -1.760 -12.200 -9.284 1.00 0.94 C ATOM 1444 CH2 TRP A 99 -0.885 -13.287 -9.159 1.00 1.01 C ATOM 0 H TRP A 99 -4.327 -8.299 -5.078 1.00 0.73 H new ATOM 0 HA TRP A 99 -4.553 -10.842 -6.242 1.00 0.75 H new ATOM 0 HB2 TRP A 99 -2.504 -9.397 -5.758 1.00 0.72 H new ATOM 0 HB3 TRP A 99 -2.601 -9.966 -4.104 1.00 0.72 H new ATOM 0 HD1 TRP A 99 -1.370 -12.192 -3.591 1.00 0.91 H new ATOM 0 HE1 TRP A 99 -0.067 -13.907 -5.009 1.00 1.01 H new ATOM 0 HE3 TRP A 99 -2.797 -10.628 -8.240 1.00 0.81 H new ATOM 0 HZ2 TRP A 99 0.437 -14.350 -7.828 1.00 1.04 H new ATOM 0 HZ3 TRP A 99 -2.113 -11.897 -10.259 1.00 0.94 H new ATOM 0 HH2 TRP A 99 -0.615 -13.864 -10.031 1.00 1.01 H new ATOM 1455 N ARG A 100 -5.666 -12.309 -4.577 1.00 0.88 N ATOM 1456 CA ARG A 100 -6.435 -13.090 -3.631 1.00 0.77 C ATOM 1457 C ARG A 100 -5.539 -13.999 -2.786 1.00 0.72 C ATOM 1458 O ARG A 100 -5.920 -14.381 -1.678 1.00 0.87 O ATOM 1459 CB ARG A 100 -7.541 -13.837 -4.385 1.00 0.70 C ATOM 1460 CG ARG A 100 -8.608 -14.380 -3.429 1.00 1.02 C ATOM 1461 CD ARG A 100 -8.390 -15.840 -3.045 1.00 1.40 C ATOM 1462 NE ARG A 100 -9.154 -16.150 -1.832 1.00 2.56 N ATOM 1463 CZ ARG A 100 -8.644 -16.547 -0.659 1.00 4.04 C ATOM 1464 NH1 ARG A 100 -7.342 -16.404 -0.406 1.00 4.78 N ATOM 1465 NH2 ARG A 100 -9.449 -17.086 0.253 1.00 5.38 N ATOM 0 H ARG A 100 -5.757 -12.612 -5.547 1.00 0.88 H new ATOM 0 HA ARG A 100 -6.916 -12.430 -2.909 1.00 0.77 H new ATOM 0 HB2 ARG A 100 -8.006 -13.166 -5.107 1.00 0.70 H new ATOM 0 HB3 ARG A 100 -7.105 -14.661 -4.950 1.00 0.70 H new ATOM 0 HG2 ARG A 100 -8.618 -13.772 -2.525 1.00 1.02 H new ATOM 0 HG3 ARG A 100 -9.588 -14.277 -3.894 1.00 1.02 H new ATOM 0 HD2 ARG A 100 -8.704 -16.492 -3.861 1.00 1.40 H new ATOM 0 HD3 ARG A 100 -7.330 -16.028 -2.877 1.00 1.40 H new ATOM 0 HE ARG A 100 -10.168 -16.054 -1.887 1.00 2.56 H new ATOM 0 HH11 ARG A 100 -6.729 -15.990 -1.108 1.00 4.78 H new ATOM 0 HH12 ARG A 100 -6.960 -16.708 0.489 1.00 4.78 H new ATOM 0 HH21 ARG A 100 -10.444 -17.193 0.055 1.00 5.38 H new ATOM 0 HH22 ARG A 100 -9.071 -17.392 1.150 1.00 5.38 H new ATOM 1479 N ASN A 101 -4.350 -14.362 -3.280 1.00 0.70 N ATOM 1480 CA ASN A 101 -3.436 -15.188 -2.491 1.00 0.64 C ATOM 1481 C ASN A 101 -2.901 -14.432 -1.274 1.00 0.59 C ATOM 1482 O ASN A 101 -2.683 -15.038 -0.224 1.00 1.25 O ATOM 1483 CB ASN A 101 -2.267 -15.756 -3.313 1.00 0.88 C ATOM 1484 CG ASN A 101 -1.467 -16.764 -2.480 1.00 1.72 C ATOM 1485 OD1 ASN A 101 -2.036 -17.484 -1.665 1.00 2.40 O ATOM 1486 ND2 ASN A 101 -0.156 -16.839 -2.647 1.00 2.85 N ATOM 0 H ASN A 101 -4.005 -14.102 -4.204 1.00 0.70 H new ATOM 0 HA ASN A 101 -4.032 -16.035 -2.150 1.00 0.64 H new ATOM 0 HB2 ASN A 101 -2.648 -16.239 -4.213 1.00 0.88 H new ATOM 0 HB3 ASN A 101 -1.615 -14.945 -3.638 1.00 0.88 H new ATOM 0 HD21 ASN A 101 0.391 -17.500 -2.096 1.00 2.85 H new ATOM 0 HD22 ASN A 101 0.307 -16.236 -3.327 1.00 2.85 H new ATOM 1493 N SER A 102 -2.679 -13.118 -1.398 1.00 0.69 N ATOM 1494 CA SER A 102 -2.111 -12.346 -0.308 1.00 0.60 C ATOM 1495 C SER A 102 -3.232 -11.951 0.642 1.00 0.62 C ATOM 1496 O SER A 102 -4.298 -11.524 0.199 1.00 1.00 O ATOM 1497 CB SER A 102 -1.336 -11.126 -0.813 1.00 0.85 C ATOM 1498 OG SER A 102 -2.054 -10.433 -1.812 1.00 1.59 O ATOM 0 H SER A 102 -2.885 -12.579 -2.239 1.00 0.69 H new ATOM 0 HA SER A 102 -1.384 -12.959 0.225 1.00 0.60 H new ATOM 0 HB2 SER A 102 -1.130 -10.454 0.020 1.00 0.85 H new ATOM 0 HB3 SER A 102 -0.373 -11.445 -1.211 1.00 0.85 H new ATOM 0 HG SER A 102 -3.013 -10.598 -1.700 1.00 1.59 H new ATOM 1504 N VAL A 103 -3.001 -12.117 1.941 1.00 0.51 N ATOM 1505 CA VAL A 103 -3.956 -11.762 2.984 1.00 0.61 C ATOM 1506 C VAL A 103 -3.323 -10.820 4.012 1.00 0.60 C ATOM 1507 O VAL A 103 -4.025 -10.292 4.871 1.00 0.85 O ATOM 1508 CB VAL A 103 -4.580 -13.027 3.604 1.00 0.79 C ATOM 1509 CG1 VAL A 103 -5.336 -13.830 2.536 1.00 0.86 C ATOM 1510 CG2 VAL A 103 -3.547 -13.934 4.285 1.00 0.87 C ATOM 0 H VAL A 103 -2.131 -12.508 2.303 1.00 0.51 H new ATOM 0 HA VAL A 103 -4.780 -11.204 2.539 1.00 0.61 H new ATOM 0 HB VAL A 103 -5.270 -12.682 4.374 1.00 0.79 H new ATOM 0 HG11 VAL A 103 -5.771 -14.720 2.990 1.00 0.86 H new ATOM 0 HG12 VAL A 103 -6.129 -13.215 2.112 1.00 0.86 H new ATOM 0 HG13 VAL A 103 -4.645 -14.126 1.746 1.00 0.86 H new ATOM 0 HG21 VAL A 103 -4.048 -14.807 4.702 1.00 0.87 H new ATOM 0 HG22 VAL A 103 -2.806 -14.256 3.553 1.00 0.87 H new ATOM 0 HG23 VAL A 103 -3.051 -13.384 5.085 1.00 0.87 H new ATOM 1520 N ARG A 104 -2.015 -10.580 3.916 1.00 0.57 N ATOM 1521 CA ARG A 104 -1.323 -9.588 4.717 1.00 0.60 C ATOM 1522 C ARG A 104 -1.150 -8.338 3.868 1.00 0.55 C ATOM 1523 O ARG A 104 -1.026 -8.438 2.643 1.00 0.61 O ATOM 1524 CB ARG A 104 0.085 -10.064 5.062 1.00 0.69 C ATOM 1525 CG ARG A 104 0.197 -11.272 5.986 1.00 1.06 C ATOM 1526 CD ARG A 104 -0.074 -12.631 5.334 1.00 2.03 C ATOM 1527 NE ARG A 104 -0.198 -13.632 6.392 1.00 2.72 N ATOM 1528 CZ ARG A 104 0.817 -14.269 6.983 1.00 2.90 C ATOM 1529 NH1 ARG A 104 1.998 -14.399 6.372 1.00 3.35 N ATOM 1530 NH2 ARG A 104 0.602 -14.730 8.213 1.00 3.97 N ATOM 0 H ARG A 104 -1.405 -11.079 3.269 1.00 0.57 H new ATOM 0 HA ARG A 104 -1.898 -9.409 5.626 1.00 0.60 H new ATOM 0 HB2 ARG A 104 0.601 -10.300 4.131 1.00 0.69 H new ATOM 0 HB3 ARG A 104 0.621 -9.234 5.522 1.00 0.69 H new ATOM 0 HG2 ARG A 104 1.199 -11.288 6.414 1.00 1.06 H new ATOM 0 HG3 ARG A 104 -0.501 -11.140 6.813 1.00 1.06 H new ATOM 0 HD2 ARG A 104 -0.987 -12.592 4.740 1.00 2.03 H new ATOM 0 HD3 ARG A 104 0.737 -12.895 4.655 1.00 2.03 H new ATOM 0 HE ARG A 104 -1.140 -13.864 6.706 1.00 2.72 H new ATOM 0 HH11 ARG A 104 2.136 -14.009 5.440 1.00 3.35 H new ATOM 0 HH12 ARG A 104 2.762 -14.888 6.838 1.00 3.35 H new ATOM 0 HH21 ARG A 104 -0.304 -14.589 8.659 1.00 3.97 H new ATOM 0 HH22 ARG A 104 1.344 -15.224 8.709 1.00 3.97 H new ATOM 1544 N LEU A 105 -1.047 -7.186 4.520 1.00 0.52 N ATOM 1545 CA LEU A 105 -0.714 -5.924 3.895 1.00 0.47 C ATOM 1546 C LEU A 105 -0.026 -5.054 4.935 1.00 0.52 C ATOM 1547 O LEU A 105 -0.187 -5.266 6.131 1.00 0.70 O ATOM 1548 CB LEU A 105 -2.008 -5.316 3.362 1.00 0.52 C ATOM 1549 CG LEU A 105 -1.878 -4.087 2.457 1.00 0.59 C ATOM 1550 CD1 LEU A 105 -1.985 -2.758 3.195 1.00 2.00 C ATOM 1551 CD2 LEU A 105 -0.797 -4.161 1.384 1.00 2.28 C ATOM 0 H LEU A 105 -1.198 -7.108 5.526 1.00 0.52 H new ATOM 0 HA LEU A 105 -0.028 -6.032 3.055 1.00 0.47 H new ATOM 0 HB2 LEU A 105 -2.543 -6.089 2.809 1.00 0.52 H new ATOM 0 HB3 LEU A 105 -2.631 -5.045 4.214 1.00 0.52 H new ATOM 0 HG LEU A 105 -2.783 -4.122 1.850 1.00 0.59 H new ATOM 0 HD11 LEU A 105 -1.883 -1.938 2.484 1.00 2.00 H new ATOM 0 HD12 LEU A 105 -2.955 -2.692 3.688 1.00 2.00 H new ATOM 0 HD13 LEU A 105 -1.194 -2.692 3.942 1.00 2.00 H new ATOM 0 HD21 LEU A 105 -0.796 -3.238 0.804 1.00 2.28 H new ATOM 0 HD22 LEU A 105 0.176 -4.294 1.857 1.00 2.28 H new ATOM 0 HD23 LEU A 105 -0.997 -5.004 0.723 1.00 2.28 H new ATOM 1563 N GLY A 106 0.763 -4.090 4.493 1.00 0.77 N ATOM 1564 CA GLY A 106 1.590 -3.293 5.390 1.00 0.66 C ATOM 1565 C GLY A 106 2.308 -2.207 4.613 1.00 0.63 C ATOM 1566 O GLY A 106 3.014 -2.497 3.647 1.00 0.67 O ATOM 0 H GLY A 106 0.850 -3.837 3.509 1.00 0.77 H new ATOM 0 HA2 GLY A 106 0.970 -2.845 6.167 1.00 0.66 H new ATOM 0 HA3 GLY A 106 2.316 -3.933 5.891 1.00 0.66 H new ATOM 1570 N CYS A 107 2.087 -0.950 4.998 1.00 0.66 N ATOM 1571 CA CYS A 107 2.420 0.198 4.174 1.00 0.68 C ATOM 1572 C CYS A 107 3.473 1.062 4.831 1.00 0.57 C ATOM 1573 O CYS A 107 3.648 1.011 6.048 1.00 0.64 O ATOM 1574 CB CYS A 107 1.169 1.005 3.842 1.00 0.88 C ATOM 1575 SG CYS A 107 -0.164 0.084 3.048 1.00 1.40 S ATOM 0 H CYS A 107 1.670 -0.705 5.896 1.00 0.66 H new ATOM 0 HA CYS A 107 2.841 -0.171 3.239 1.00 0.68 H new ATOM 0 HB2 CYS A 107 0.785 1.443 4.764 1.00 0.88 H new ATOM 0 HB3 CYS A 107 1.454 1.832 3.191 1.00 0.88 H new ATOM 1580 N GLY A 108 4.164 1.864 4.023 1.00 0.56 N ATOM 1581 CA GLY A 108 5.315 2.643 4.424 1.00 0.53 C ATOM 1582 C GLY A 108 5.285 4.009 3.748 1.00 0.66 C ATOM 1583 O GLY A 108 4.341 4.356 3.029 1.00 1.34 O ATOM 0 H GLY A 108 3.923 1.988 3.040 1.00 0.56 H new ATOM 0 HA2 GLY A 108 5.322 2.765 5.507 1.00 0.53 H new ATOM 0 HA3 GLY A 108 6.231 2.116 4.157 1.00 0.53 H new ATOM 1587 N ARG A 109 6.323 4.799 3.980 1.00 0.91 N ATOM 1588 CA ARG A 109 6.440 6.172 3.548 1.00 1.02 C ATOM 1589 C ARG A 109 7.904 6.562 3.708 1.00 1.21 C ATOM 1590 O ARG A 109 8.485 6.271 4.753 1.00 1.74 O ATOM 1591 CB ARG A 109 5.533 7.056 4.382 1.00 1.36 C ATOM 1592 CG ARG A 109 5.349 8.350 3.598 1.00 1.48 C ATOM 1593 CD ARG A 109 4.270 8.255 2.520 1.00 2.17 C ATOM 1594 NE ARG A 109 2.908 8.424 3.048 1.00 1.99 N ATOM 1595 CZ ARG A 109 2.010 7.449 3.243 1.00 3.70 C ATOM 1596 NH1 ARG A 109 2.352 6.166 3.384 1.00 5.14 N ATOM 1597 NH2 ARG A 109 0.728 7.785 3.223 1.00 4.43 N ATOM 0 H ARG A 109 7.141 4.479 4.499 1.00 0.91 H new ATOM 0 HA ARG A 109 6.133 6.294 2.509 1.00 1.02 H new ATOM 0 HB2 ARG A 109 4.574 6.570 4.559 1.00 1.36 H new ATOM 0 HB3 ARG A 109 5.975 7.254 5.359 1.00 1.36 H new ATOM 0 HG2 ARG A 109 5.092 9.152 4.290 1.00 1.48 H new ATOM 0 HG3 ARG A 109 6.296 8.622 3.132 1.00 1.48 H new ATOM 0 HD2 ARG A 109 4.456 9.015 1.761 1.00 2.17 H new ATOM 0 HD3 ARG A 109 4.344 7.286 2.026 1.00 2.17 H new ATOM 0 HE ARG A 109 2.620 9.372 3.288 1.00 1.99 H new ATOM 0 HH11 ARG A 109 3.334 5.893 3.345 1.00 5.14 H new ATOM 0 HH12 ARG A 109 1.631 5.459 3.531 1.00 5.14 H new ATOM 0 HH21 ARG A 109 0.458 8.755 3.063 1.00 4.43 H new ATOM 0 HH22 ARG A 109 0.012 7.073 3.367 1.00 4.43 H new ATOM 1611 N ALA A 110 8.489 7.190 2.693 1.00 0.96 N ATOM 1612 CA ALA A 110 9.710 7.966 2.834 1.00 0.99 C ATOM 1613 C ALA A 110 9.526 9.201 1.961 1.00 0.82 C ATOM 1614 O ALA A 110 8.871 9.103 0.916 1.00 0.75 O ATOM 1615 CB ALA A 110 10.919 7.142 2.383 1.00 1.10 C ATOM 0 H ALA A 110 8.123 7.173 1.741 1.00 0.96 H new ATOM 0 HA ALA A 110 9.894 8.247 3.871 1.00 0.99 H new ATOM 0 HB1 ALA A 110 11.826 7.736 2.494 1.00 1.10 H new ATOM 0 HB2 ALA A 110 10.996 6.244 2.996 1.00 1.10 H new ATOM 0 HB3 ALA A 110 10.797 6.859 1.338 1.00 1.10 H new ATOM 1621 N ARG A 111 10.064 10.353 2.371 1.00 0.85 N ATOM 1622 CA ARG A 111 10.098 11.511 1.500 1.00 0.80 C ATOM 1623 C ARG A 111 11.428 11.507 0.751 1.00 0.84 C ATOM 1624 O ARG A 111 12.443 11.968 1.273 1.00 1.19 O ATOM 1625 CB ARG A 111 9.862 12.835 2.230 1.00 0.85 C ATOM 1626 CG ARG A 111 9.492 13.879 1.160 1.00 1.04 C ATOM 1627 CD ARG A 111 9.531 15.331 1.646 1.00 1.32 C ATOM 1628 NE ARG A 111 10.754 15.672 2.388 1.00 2.31 N ATOM 1629 CZ ARG A 111 12.022 15.668 1.945 1.00 3.76 C ATOM 1630 NH1 ARG A 111 12.319 15.368 0.681 1.00 4.80 N ATOM 1631 NH2 ARG A 111 12.979 15.968 2.818 1.00 5.05 N ATOM 0 H ARG A 111 10.476 10.500 3.293 1.00 0.85 H new ATOM 0 HA ARG A 111 9.268 11.435 0.797 1.00 0.80 H new ATOM 0 HB2 ARG A 111 9.062 12.734 2.963 1.00 0.85 H new ATOM 0 HB3 ARG A 111 10.756 13.140 2.774 1.00 0.85 H new ATOM 0 HG2 ARG A 111 10.175 13.773 0.317 1.00 1.04 H new ATOM 0 HG3 ARG A 111 8.491 13.661 0.789 1.00 1.04 H new ATOM 0 HD2 ARG A 111 9.441 15.995 0.787 1.00 1.32 H new ATOM 0 HD3 ARG A 111 8.666 15.515 2.284 1.00 1.32 H new ATOM 0 HE ARG A 111 10.623 15.946 3.362 1.00 2.31 H new ATOM 0 HH11 ARG A 111 11.575 15.134 0.024 1.00 4.80 H new ATOM 0 HH12 ARG A 111 13.291 15.372 0.371 1.00 4.80 H new ATOM 0 HH21 ARG A 111 12.737 16.190 3.784 1.00 5.05 H new ATOM 0 HH22 ARG A 111 13.955 15.976 2.522 1.00 5.05 H new ATOM 1645 N CYS A 112 11.404 10.990 -0.467 1.00 0.98 N ATOM 1646 CA CYS A 112 12.535 10.964 -1.378 1.00 1.03 C ATOM 1647 C CYS A 112 12.855 12.352 -1.907 1.00 1.14 C ATOM 1648 O CYS A 112 12.147 13.325 -1.635 1.00 1.23 O ATOM 1649 CB CYS A 112 12.213 10.085 -2.586 1.00 1.30 C ATOM 1650 SG CYS A 112 11.484 8.490 -2.244 1.00 1.71 S ATOM 0 H CYS A 112 10.566 10.562 -0.861 1.00 0.98 H new ATOM 0 HA CYS A 112 13.386 10.575 -0.819 1.00 1.03 H new ATOM 0 HB2 CYS A 112 11.535 10.637 -3.238 1.00 1.30 H new ATOM 0 HB3 CYS A 112 13.134 9.925 -3.146 1.00 1.30 H new ATOM 1655 N ASN A 113 13.865 12.390 -2.778 1.00 1.51 N ATOM 1656 CA ASN A 113 14.094 13.484 -3.708 1.00 2.15 C ATOM 1657 C ASN A 113 12.985 13.441 -4.761 1.00 2.50 C ATOM 1658 O ASN A 113 11.874 13.917 -4.527 1.00 3.23 O ATOM 1659 CB ASN A 113 15.495 13.374 -4.340 1.00 2.50 C ATOM 1660 CG ASN A 113 16.636 13.713 -3.387 1.00 2.07 C ATOM 1661 OD1 ASN A 113 16.418 14.117 -2.251 1.00 2.74 O ATOM 1662 ND2 ASN A 113 17.873 13.529 -3.833 1.00 2.60 N ATOM 0 H ASN A 113 14.557 11.644 -2.854 1.00 1.51 H new ATOM 0 HA ASN A 113 14.064 14.443 -3.191 1.00 2.15 H new ATOM 0 HB2 ASN A 113 15.636 12.359 -4.712 1.00 2.50 H new ATOM 0 HB3 ASN A 113 15.546 14.039 -5.202 1.00 2.50 H new ATOM 0 HD21 ASN A 113 18.669 13.725 -3.225 1.00 2.60 H new ATOM 0 HD22 ASN A 113 18.028 13.192 -4.783 1.00 2.60 H new ATOM 1669 N ASN A 114 13.242 12.808 -5.910 1.00 2.49 N ATOM 1670 CA ASN A 114 12.290 12.800 -7.024 1.00 2.94 C ATOM 1671 C ASN A 114 11.096 11.885 -6.768 1.00 3.81 C ATOM 1672 O ASN A 114 10.181 11.836 -7.579 1.00 4.40 O ATOM 1673 CB ASN A 114 12.955 12.378 -8.340 1.00 2.77 C ATOM 1674 CG ASN A 114 12.792 10.879 -8.584 1.00 3.27 C ATOM 1675 OD1 ASN A 114 12.077 10.459 -9.488 1.00 4.41 O ATOM 1676 ND2 ASN A 114 13.403 10.056 -7.746 1.00 3.34 N ATOM 0 H ASN A 114 14.104 12.294 -6.093 1.00 2.49 H new ATOM 0 HA ASN A 114 11.935 13.827 -7.107 1.00 2.94 H new ATOM 0 HB2 ASN A 114 12.515 12.934 -9.168 1.00 2.77 H new ATOM 0 HB3 ASN A 114 14.015 12.632 -8.313 1.00 2.77 H new ATOM 0 HD21 ASN A 114 13.284 9.048 -7.844 1.00 3.34 H new ATOM 0 HD22 ASN A 114 13.992 10.430 -7.002 1.00 3.34 H new ATOM 1683 N GLY A 115 11.120 11.089 -5.704 1.00 4.13 N ATOM 1684 CA GLY A 115 9.971 10.279 -5.340 1.00 5.12 C ATOM 1685 C GLY A 115 8.975 11.094 -4.514 1.00 3.76 C ATOM 1686 O GLY A 115 7.874 10.616 -4.250 1.00 4.39 O ATOM 0 H GLY A 115 11.922 10.990 -5.082 1.00 4.13 H new ATOM 0 HA2 GLY A 115 9.484 9.905 -6.240 1.00 5.12 H new ATOM 0 HA3 GLY A 115 10.299 9.410 -4.770 1.00 5.12 H new ATOM 1690 N TRP A 116 9.343 12.315 -4.099 1.00 2.02 N ATOM 1691 CA TRP A 116 8.607 13.117 -3.147 1.00 1.12 C ATOM 1692 C TRP A 116 8.083 12.219 -2.029 1.00 0.89 C ATOM 1693 O TRP A 116 8.871 11.489 -1.439 1.00 1.13 O ATOM 1694 CB TRP A 116 7.542 13.860 -3.921 1.00 1.11 C ATOM 1695 CG TRP A 116 8.033 14.797 -4.967 1.00 1.29 C ATOM 1696 CD1 TRP A 116 8.470 16.051 -4.732 1.00 1.83 C ATOM 1697 CD2 TRP A 116 8.160 14.584 -6.405 1.00 1.27 C ATOM 1698 NE1 TRP A 116 8.852 16.628 -5.920 1.00 2.06 N ATOM 1699 CE2 TRP A 116 8.711 15.763 -6.979 1.00 1.70 C ATOM 1700 CE3 TRP A 116 7.900 13.509 -7.283 1.00 1.34 C ATOM 1701 CZ2 TRP A 116 9.001 15.872 -8.342 1.00 1.88 C ATOM 1702 CZ3 TRP A 116 8.177 13.615 -8.659 1.00 1.61 C ATOM 1703 CH2 TRP A 116 8.718 14.793 -9.190 1.00 1.74 C ATOM 0 H TRP A 116 10.190 12.774 -4.435 1.00 2.02 H new ATOM 0 HA TRP A 116 9.224 13.863 -2.645 1.00 1.12 H new ATOM 0 HB2 TRP A 116 6.887 13.128 -4.395 1.00 1.11 H new ATOM 0 HB3 TRP A 116 6.932 14.423 -3.214 1.00 1.11 H new ATOM 0 HD1 TRP A 116 8.513 16.527 -3.763 1.00 1.83 H new ATOM 0 HE1 TRP A 116 9.199 17.584 -6.005 1.00 2.06 H new ATOM 0 HE3 TRP A 116 7.483 12.592 -6.893 1.00 1.34 H new ATOM 0 HZ2 TRP A 116 9.438 16.777 -8.737 1.00 1.88 H new ATOM 0 HZ3 TRP A 116 7.970 12.780 -9.312 1.00 1.61 H new ATOM 0 HH2 TRP A 116 8.916 14.869 -10.249 1.00 1.74 H new ATOM 1714 N TRP A 117 6.769 12.163 -1.820 1.00 0.70 N ATOM 1715 CA TRP A 117 6.193 11.239 -0.866 1.00 0.62 C ATOM 1716 C TRP A 117 6.060 9.926 -1.613 1.00 0.65 C ATOM 1717 O TRP A 117 5.111 9.719 -2.368 1.00 0.99 O ATOM 1718 CB TRP A 117 4.826 11.725 -0.368 1.00 0.70 C ATOM 1719 CG TRP A 117 4.880 12.883 0.575 1.00 0.81 C ATOM 1720 CD1 TRP A 117 4.289 14.079 0.383 1.00 1.01 C ATOM 1721 CD2 TRP A 117 5.516 12.962 1.886 1.00 0.93 C ATOM 1722 NE1 TRP A 117 4.592 14.920 1.429 1.00 1.16 N ATOM 1723 CE2 TRP A 117 5.331 14.280 2.397 1.00 1.15 C ATOM 1724 CE3 TRP A 117 6.216 12.050 2.707 1.00 1.00 C ATOM 1725 CZ2 TRP A 117 5.834 14.682 3.641 1.00 1.40 C ATOM 1726 CZ3 TRP A 117 6.698 12.435 3.972 1.00 1.28 C ATOM 1727 CH2 TRP A 117 6.524 13.752 4.432 1.00 1.46 C ATOM 0 H TRP A 117 6.089 12.750 -2.303 1.00 0.70 H new ATOM 0 HA TRP A 117 6.817 11.143 0.022 1.00 0.62 H new ATOM 0 HB2 TRP A 117 4.219 12.004 -1.229 1.00 0.70 H new ATOM 0 HB3 TRP A 117 4.318 10.896 0.125 1.00 0.70 H new ATOM 0 HD1 TRP A 117 3.671 14.338 -0.464 1.00 1.01 H new ATOM 0 HE1 TRP A 117 4.304 15.897 1.480 1.00 1.16 H new ATOM 0 HE3 TRP A 117 6.384 11.042 2.358 1.00 1.00 H new ATOM 0 HZ2 TRP A 117 5.692 15.695 3.987 1.00 1.40 H new ATOM 0 HZ3 TRP A 117 7.206 11.713 4.594 1.00 1.28 H new ATOM 0 HH2 TRP A 117 6.921 14.047 5.392 1.00 1.46 H new ATOM 1738 N PHE A 118 7.050 9.070 -1.391 1.00 0.52 N ATOM 1739 CA PHE A 118 7.074 7.710 -1.879 1.00 0.48 C ATOM 1740 C PHE A 118 6.303 6.837 -0.919 1.00 0.43 C ATOM 1741 O PHE A 118 6.763 6.551 0.186 1.00 0.76 O ATOM 1742 CB PHE A 118 8.521 7.263 -1.999 1.00 0.57 C ATOM 1743 CG PHE A 118 8.785 5.989 -2.774 1.00 0.65 C ATOM 1744 CD1 PHE A 118 9.074 6.024 -4.149 1.00 1.92 C ATOM 1745 CD2 PHE A 118 9.004 4.802 -2.052 1.00 1.99 C ATOM 1746 CE1 PHE A 118 9.672 4.911 -4.762 1.00 1.94 C ATOM 1747 CE2 PHE A 118 9.582 3.685 -2.676 1.00 2.09 C ATOM 1748 CZ PHE A 118 9.910 3.736 -4.037 1.00 0.98 C ATOM 0 H PHE A 118 7.879 9.317 -0.850 1.00 0.52 H new ATOM 0 HA PHE A 118 6.607 7.635 -2.861 1.00 0.48 H new ATOM 0 HB2 PHE A 118 9.086 8.068 -2.468 1.00 0.57 H new ATOM 0 HB3 PHE A 118 8.921 7.137 -0.993 1.00 0.57 H new ATOM 0 HD1 PHE A 118 8.837 6.902 -4.731 1.00 1.92 H new ATOM 0 HD2 PHE A 118 8.725 4.749 -1.010 1.00 1.99 H new ATOM 0 HE1 PHE A 118 9.952 4.961 -5.804 1.00 1.94 H new ATOM 0 HE2 PHE A 118 9.774 2.787 -2.107 1.00 2.09 H new ATOM 0 HZ PHE A 118 10.344 2.875 -4.524 1.00 0.98 H new ATOM 1758 N ILE A 119 5.114 6.429 -1.343 1.00 0.47 N ATOM 1759 CA ILE A 119 4.411 5.350 -0.701 1.00 0.44 C ATOM 1760 C ILE A 119 4.948 4.062 -1.296 1.00 0.45 C ATOM 1761 O ILE A 119 4.969 3.904 -2.516 1.00 0.49 O ATOM 1762 CB ILE A 119 2.901 5.521 -0.908 1.00 0.46 C ATOM 1763 CG1 ILE A 119 2.453 6.641 0.028 1.00 0.61 C ATOM 1764 CG2 ILE A 119 2.165 4.215 -0.605 1.00 0.47 C ATOM 1765 CD1 ILE A 119 1.386 7.541 -0.564 1.00 1.13 C ATOM 0 H ILE A 119 4.621 6.839 -2.136 1.00 0.47 H new ATOM 0 HA ILE A 119 4.568 5.336 0.377 1.00 0.44 H new ATOM 0 HB ILE A 119 2.671 5.775 -1.943 1.00 0.46 H new ATOM 0 HG12 ILE A 119 2.074 6.201 0.951 1.00 0.61 H new ATOM 0 HG13 ILE A 119 3.319 7.247 0.296 1.00 0.61 H new ATOM 0 HG21 ILE A 119 1.095 4.356 -0.758 1.00 0.47 H new ATOM 0 HG22 ILE A 119 2.526 3.431 -1.271 1.00 0.47 H new ATOM 0 HG23 ILE A 119 2.349 3.925 0.430 1.00 0.47 H new ATOM 0 HD11 ILE A 119 1.119 8.312 0.158 1.00 1.13 H new ATOM 0 HD12 ILE A 119 1.768 8.010 -1.471 1.00 1.13 H new ATOM 0 HD13 ILE A 119 0.504 6.949 -0.806 1.00 1.13 H new ATOM 1777 N SER A 120 5.326 3.141 -0.420 1.00 0.57 N ATOM 1778 CA SER A 120 5.462 1.735 -0.730 1.00 0.56 C ATOM 1779 C SER A 120 4.414 1.029 0.106 1.00 0.61 C ATOM 1780 O SER A 120 4.164 1.454 1.238 1.00 0.67 O ATOM 1781 CB SER A 120 6.869 1.257 -0.358 1.00 0.60 C ATOM 1782 OG SER A 120 7.807 2.244 -0.727 1.00 1.59 O ATOM 0 H SER A 120 5.551 3.363 0.550 1.00 0.57 H new ATOM 0 HA SER A 120 5.322 1.531 -1.792 1.00 0.56 H new ATOM 0 HB2 SER A 120 6.929 1.064 0.713 1.00 0.60 H new ATOM 0 HB3 SER A 120 7.093 0.318 -0.864 1.00 0.60 H new ATOM 0 HG SER A 120 8.237 1.988 -1.569 1.00 1.59 H new ATOM 1788 N CYS A 121 3.787 -0.018 -0.416 1.00 0.69 N ATOM 1789 CA CYS A 121 2.992 -0.882 0.433 1.00 0.79 C ATOM 1790 C CYS A 121 3.103 -2.322 -0.023 1.00 0.85 C ATOM 1791 O CYS A 121 2.902 -2.595 -1.203 1.00 1.08 O ATOM 1792 CB CYS A 121 1.546 -0.410 0.515 1.00 1.20 C ATOM 1793 SG CYS A 121 0.726 -1.337 1.807 1.00 1.49 S ATOM 0 H CYS A 121 3.814 -0.282 -1.401 1.00 0.69 H new ATOM 0 HA CYS A 121 3.390 -0.828 1.446 1.00 0.79 H new ATOM 0 HB2 CYS A 121 1.507 0.658 0.730 1.00 1.20 H new ATOM 0 HB3 CYS A 121 1.042 -0.562 -0.440 1.00 1.20 H new ATOM 1798 N ASN A 122 3.510 -3.203 0.890 1.00 0.75 N ATOM 1799 CA ASN A 122 3.983 -4.552 0.608 1.00 0.72 C ATOM 1800 C ASN A 122 2.931 -5.537 1.090 1.00 0.65 C ATOM 1801 O ASN A 122 2.212 -5.261 2.048 1.00 0.65 O ATOM 1802 CB ASN A 122 5.326 -4.767 1.321 1.00 0.79 C ATOM 1803 CG ASN A 122 6.249 -5.830 0.723 1.00 1.00 C ATOM 1804 OD1 ASN A 122 7.406 -5.551 0.414 1.00 2.06 O ATOM 1805 ND2 ASN A 122 5.829 -7.079 0.600 1.00 2.33 N ATOM 0 H ASN A 122 3.518 -2.984 1.886 1.00 0.75 H new ATOM 0 HA ASN A 122 4.139 -4.703 -0.460 1.00 0.72 H new ATOM 0 HB2 ASN A 122 5.862 -3.818 1.335 1.00 0.79 H new ATOM 0 HB3 ASN A 122 5.124 -5.034 2.358 1.00 0.79 H new ATOM 0 HD21 ASN A 122 6.463 -7.798 0.252 1.00 2.33 H new ATOM 0 HD22 ASN A 122 4.871 -7.322 0.853 1.00 2.33 H new ATOM 1812 N TYR A 123 2.828 -6.664 0.399 1.00 0.67 N ATOM 1813 CA TYR A 123 1.821 -7.701 0.584 1.00 0.62 C ATOM 1814 C TYR A 123 2.553 -8.972 1.016 1.00 0.80 C ATOM 1815 O TYR A 123 3.742 -9.093 0.718 1.00 1.05 O ATOM 1816 CB TYR A 123 1.072 -7.915 -0.745 1.00 0.45 C ATOM 1817 CG TYR A 123 0.356 -6.686 -1.289 1.00 0.46 C ATOM 1818 CD1 TYR A 123 1.100 -5.600 -1.784 1.00 1.67 C ATOM 1819 CD2 TYR A 123 -1.048 -6.601 -1.273 1.00 1.83 C ATOM 1820 CE1 TYR A 123 0.469 -4.389 -2.107 1.00 1.67 C ATOM 1821 CE2 TYR A 123 -1.681 -5.388 -1.606 1.00 1.83 C ATOM 1822 CZ TYR A 123 -0.918 -4.270 -1.980 1.00 0.49 C ATOM 1823 OH TYR A 123 -1.513 -3.102 -2.335 1.00 0.55 O ATOM 0 H TYR A 123 3.483 -6.892 -0.349 1.00 0.67 H new ATOM 0 HA TYR A 123 1.088 -7.424 1.342 1.00 0.62 H new ATOM 0 HB2 TYR A 123 1.784 -8.262 -1.494 1.00 0.45 H new ATOM 0 HB3 TYR A 123 0.340 -8.711 -0.608 1.00 0.45 H new ATOM 0 HD1 TYR A 123 2.167 -5.699 -1.917 1.00 1.67 H new ATOM 0 HD2 TYR A 123 -1.639 -7.464 -1.006 1.00 1.83 H new ATOM 0 HE1 TYR A 123 1.054 -3.550 -2.453 1.00 1.67 H new ATOM 0 HE2 TYR A 123 -2.758 -5.317 -1.574 1.00 1.83 H new ATOM 0 HH TYR A 123 -2.273 -2.928 -1.741 1.00 0.55 H new ATOM 1833 N ASP A 124 1.872 -9.897 1.701 1.00 0.81 N ATOM 1834 CA ASP A 124 2.363 -11.259 1.933 1.00 0.89 C ATOM 1835 C ASP A 124 1.192 -12.241 1.797 1.00 0.76 C ATOM 1836 O ASP A 124 0.076 -11.894 2.212 1.00 0.70 O ATOM 1837 CB ASP A 124 3.056 -11.419 3.295 1.00 1.11 C ATOM 1838 CG ASP A 124 3.651 -12.798 3.438 1.00 1.23 C ATOM 1839 OD1 ASP A 124 2.944 -13.706 3.924 1.00 2.26 O ATOM 1840 OD2 ASP A 124 4.832 -12.937 3.058 1.00 2.02 O ATOM 0 H ASP A 124 0.956 -9.719 2.114 1.00 0.81 H new ATOM 0 HA ASP A 124 3.123 -11.476 1.182 1.00 0.89 H new ATOM 0 HB2 ASP A 124 3.839 -10.668 3.399 1.00 1.11 H new ATOM 0 HB3 ASP A 124 2.338 -11.244 4.096 1.00 1.11 H new ATOM 1845 N PRO A 125 1.387 -13.447 1.239 1.00 0.79 N ATOM 1846 CA PRO A 125 2.512 -13.873 0.408 1.00 0.91 C ATOM 1847 C PRO A 125 2.734 -12.957 -0.800 1.00 0.95 C ATOM 1848 O PRO A 125 1.991 -11.991 -0.997 1.00 0.99 O ATOM 1849 CB PRO A 125 2.177 -15.307 -0.035 1.00 0.94 C ATOM 1850 CG PRO A 125 0.670 -15.427 0.185 1.00 0.88 C ATOM 1851 CD PRO A 125 0.472 -14.555 1.415 1.00 0.81 C ATOM 0 HA PRO A 125 3.444 -13.825 0.970 1.00 0.91 H new ATOM 0 HB2 PRO A 125 2.441 -15.473 -1.079 1.00 0.94 H new ATOM 0 HB3 PRO A 125 2.725 -16.043 0.553 1.00 0.94 H new ATOM 0 HG2 PRO A 125 0.101 -15.064 -0.671 1.00 0.88 H new ATOM 0 HG3 PRO A 125 0.362 -16.458 0.359 1.00 0.88 H new ATOM 0 HD2 PRO A 125 -0.558 -14.208 1.491 1.00 0.81 H new ATOM 0 HD3 PRO A 125 0.691 -15.106 2.329 1.00 0.81 H new ATOM 1859 N VAL A 126 3.769 -13.242 -1.597 1.00 1.00 N ATOM 1860 CA VAL A 126 4.108 -12.410 -2.747 1.00 1.01 C ATOM 1861 C VAL A 126 2.897 -12.295 -3.678 1.00 0.97 C ATOM 1862 O VAL A 126 2.001 -13.146 -3.648 1.00 1.11 O ATOM 1863 CB VAL A 126 5.382 -12.878 -3.484 1.00 1.11 C ATOM 1864 CG1 VAL A 126 6.443 -13.508 -2.581 1.00 1.33 C ATOM 1865 CG2 VAL A 126 5.132 -13.793 -4.696 1.00 1.06 C ATOM 0 H VAL A 126 4.385 -14.044 -1.463 1.00 1.00 H new ATOM 0 HA VAL A 126 4.355 -11.415 -2.377 1.00 1.01 H new ATOM 0 HB VAL A 126 5.776 -11.934 -3.860 1.00 1.11 H new ATOM 0 HG11 VAL A 126 7.302 -13.807 -3.182 1.00 1.33 H new ATOM 0 HG12 VAL A 126 6.760 -12.783 -1.831 1.00 1.33 H new ATOM 0 HG13 VAL A 126 6.025 -14.384 -2.085 1.00 1.33 H new ATOM 0 HG21 VAL A 126 6.085 -14.068 -5.147 1.00 1.06 H new ATOM 0 HG22 VAL A 126 4.611 -14.693 -4.371 1.00 1.06 H new ATOM 0 HG23 VAL A 126 4.522 -13.266 -5.430 1.00 1.06 H new ATOM 1875 N GLY A 127 2.849 -11.269 -4.526 1.00 0.97 N ATOM 1876 CA GLY A 127 1.673 -11.075 -5.337 1.00 0.97 C ATOM 1877 C GLY A 127 1.863 -10.126 -6.498 1.00 0.91 C ATOM 1878 O GLY A 127 2.952 -9.623 -6.748 1.00 1.02 O ATOM 0 H GLY A 127 3.592 -10.584 -4.660 1.00 0.97 H new ATOM 0 HA2 GLY A 127 1.350 -12.042 -5.723 1.00 0.97 H new ATOM 0 HA3 GLY A 127 0.869 -10.699 -4.705 1.00 0.97 H new ATOM 1882 N ASN A 128 0.785 -9.975 -7.272 1.00 1.02 N ATOM 1883 CA ASN A 128 0.828 -9.427 -8.624 1.00 1.25 C ATOM 1884 C ASN A 128 1.776 -10.261 -9.497 1.00 1.32 C ATOM 1885 O ASN A 128 2.282 -9.779 -10.508 1.00 1.62 O ATOM 1886 CB ASN A 128 1.308 -7.971 -8.533 1.00 1.54 C ATOM 1887 CG ASN A 128 0.827 -7.074 -9.658 1.00 1.26 C ATOM 1888 OD1 ASN A 128 -0.149 -7.350 -10.346 1.00 1.53 O ATOM 1889 ND2 ASN A 128 1.499 -5.948 -9.860 1.00 2.04 N ATOM 0 H ASN A 128 -0.154 -10.235 -6.970 1.00 1.02 H new ATOM 0 HA ASN A 128 -0.161 -9.459 -9.082 1.00 1.25 H new ATOM 0 HB2 ASN A 128 0.974 -7.551 -7.584 1.00 1.54 H new ATOM 0 HB3 ASN A 128 2.398 -7.962 -8.520 1.00 1.54 H new ATOM 0 HD21 ASN A 128 1.205 -5.303 -10.593 1.00 2.04 H new ATOM 0 HD22 ASN A 128 2.310 -5.727 -9.282 1.00 2.04 H new ATOM 1896 N TRP A 129 2.085 -11.476 -9.046 1.00 1.19 N ATOM 1897 CA TRP A 129 3.243 -12.247 -9.439 1.00 1.51 C ATOM 1898 C TRP A 129 2.834 -13.218 -10.544 1.00 1.73 C ATOM 1899 O TRP A 129 1.786 -13.854 -10.440 1.00 1.51 O ATOM 1900 CB TRP A 129 3.758 -12.922 -8.160 1.00 1.32 C ATOM 1901 CG TRP A 129 4.174 -14.346 -8.218 1.00 1.51 C ATOM 1902 CD1 TRP A 129 3.426 -15.370 -7.765 1.00 1.53 C ATOM 1903 CD2 TRP A 129 5.457 -14.914 -8.602 1.00 1.93 C ATOM 1904 NE1 TRP A 129 4.168 -16.530 -7.800 1.00 1.91 N ATOM 1905 CE2 TRP A 129 5.437 -16.304 -8.290 1.00 2.14 C ATOM 1906 CE3 TRP A 129 6.651 -14.390 -9.145 1.00 2.27 C ATOM 1907 CZ2 TRP A 129 6.555 -17.125 -8.472 1.00 2.59 C ATOM 1908 CZ3 TRP A 129 7.763 -15.220 -9.386 1.00 2.72 C ATOM 1909 CH2 TRP A 129 7.722 -16.582 -9.036 1.00 2.85 C ATOM 0 H TRP A 129 1.502 -11.964 -8.366 1.00 1.19 H new ATOM 0 HA TRP A 129 4.052 -11.649 -9.859 1.00 1.51 H new ATOM 0 HB2 TRP A 129 4.610 -12.344 -7.803 1.00 1.32 H new ATOM 0 HB3 TRP A 129 2.976 -12.837 -7.405 1.00 1.32 H new ATOM 0 HD1 TRP A 129 2.403 -15.294 -7.427 1.00 1.53 H new ATOM 0 HE1 TRP A 129 3.822 -17.442 -7.501 1.00 1.91 H new ATOM 0 HE3 TRP A 129 6.712 -13.337 -9.379 1.00 2.27 H new ATOM 0 HZ2 TRP A 129 6.522 -18.165 -8.182 1.00 2.59 H new ATOM 0 HZ3 TRP A 129 8.652 -14.809 -9.842 1.00 2.72 H new ATOM 0 HH2 TRP A 129 8.586 -17.209 -9.200 1.00 2.85 H new ATOM 1920 N ILE A 130 3.613 -13.338 -11.617 1.00 2.42 N ATOM 1921 CA ILE A 130 3.364 -14.367 -12.617 1.00 2.65 C ATOM 1922 C ILE A 130 3.409 -15.730 -11.936 1.00 2.81 C ATOM 1923 O ILE A 130 4.351 -16.036 -11.210 1.00 3.24 O ATOM 1924 CB ILE A 130 4.301 -14.228 -13.835 1.00 3.27 C ATOM 1925 CG1 ILE A 130 3.539 -14.163 -15.171 1.00 3.33 C ATOM 1926 CG2 ILE A 130 5.471 -15.222 -13.881 1.00 3.94 C ATOM 1927 CD1 ILE A 130 2.798 -15.456 -15.531 1.00 2.75 C ATOM 0 H ILE A 130 4.415 -12.739 -11.813 1.00 2.42 H new ATOM 0 HA ILE A 130 2.367 -14.247 -13.042 1.00 2.65 H new ATOM 0 HB ILE A 130 4.776 -13.259 -13.684 1.00 3.27 H new ATOM 0 HG12 ILE A 130 2.820 -13.345 -15.128 1.00 3.33 H new ATOM 0 HG13 ILE A 130 4.244 -13.927 -15.968 1.00 3.33 H new ATOM 0 HG21 ILE A 130 6.068 -15.040 -14.775 1.00 3.94 H new ATOM 0 HG22 ILE A 130 6.094 -15.092 -12.996 1.00 3.94 H new ATOM 0 HG23 ILE A 130 5.083 -16.240 -13.905 1.00 3.94 H new ATOM 0 HD11 ILE A 130 2.287 -15.329 -16.485 1.00 2.75 H new ATOM 0 HD12 ILE A 130 3.513 -16.275 -15.609 1.00 2.75 H new ATOM 0 HD13 ILE A 130 2.067 -15.684 -14.755 1.00 2.75 H new ATOM 1939 N GLY A 131 2.366 -16.519 -12.147 1.00 2.72 N ATOM 1940 CA GLY A 131 2.189 -17.809 -11.508 1.00 2.99 C ATOM 1941 C GLY A 131 0.710 -18.158 -11.474 1.00 2.69 C ATOM 1942 O GLY A 131 0.295 -19.141 -12.087 1.00 3.50 O ATOM 0 H GLY A 131 1.605 -16.273 -12.780 1.00 2.72 H new ATOM 0 HA2 GLY A 131 2.742 -18.575 -12.051 1.00 2.99 H new ATOM 0 HA3 GLY A 131 2.591 -17.784 -10.495 1.00 2.99 H new ATOM 1946 N GLN A 132 -0.088 -17.343 -10.783 1.00 2.17 N ATOM 1947 CA GLN A 132 -1.504 -17.604 -10.556 1.00 2.34 C ATOM 1948 C GLN A 132 -2.367 -16.431 -11.027 1.00 2.41 C ATOM 1949 O GLN A 132 -1.851 -15.405 -11.485 1.00 3.19 O ATOM 1950 CB GLN A 132 -1.754 -17.981 -9.084 1.00 2.15 C ATOM 1951 CG GLN A 132 -1.423 -16.905 -8.047 1.00 2.21 C ATOM 1952 CD GLN A 132 0.013 -16.953 -7.532 1.00 2.36 C ATOM 1953 OE1 GLN A 132 0.919 -17.488 -8.165 1.00 3.81 O ATOM 1954 NE2 GLN A 132 0.238 -16.351 -6.374 1.00 2.04 N ATOM 0 H GLN A 132 0.238 -16.473 -10.361 1.00 2.17 H new ATOM 0 HA GLN A 132 -1.804 -18.461 -11.159 1.00 2.34 H new ATOM 0 HB2 GLN A 132 -2.804 -18.253 -8.973 1.00 2.15 H new ATOM 0 HB3 GLN A 132 -1.168 -18.871 -8.854 1.00 2.15 H new ATOM 0 HG2 GLN A 132 -1.607 -15.924 -8.486 1.00 2.21 H new ATOM 0 HG3 GLN A 132 -2.104 -17.009 -7.202 1.00 2.21 H new ATOM 0 HE21 GLN A 132 -0.532 -15.914 -5.868 1.00 2.04 H new ATOM 0 HE22 GLN A 132 1.182 -16.324 -5.988 1.00 2.04 H new ATOM 1963 N ARG A 133 -3.684 -16.600 -10.930 1.00 2.22 N ATOM 1964 CA ARG A 133 -4.670 -15.571 -11.230 1.00 2.11 C ATOM 1965 C ARG A 133 -4.805 -14.581 -10.061 1.00 1.68 C ATOM 1966 O ARG A 133 -4.473 -14.929 -8.928 1.00 1.79 O ATOM 1967 CB ARG A 133 -6.012 -16.248 -11.530 1.00 2.46 C ATOM 1968 CG ARG A 133 -5.930 -17.020 -12.851 1.00 3.00 C ATOM 1969 CD ARG A 133 -7.291 -17.619 -13.223 1.00 3.33 C ATOM 1970 NE ARG A 133 -7.518 -17.507 -14.670 1.00 4.54 N ATOM 1971 CZ ARG A 133 -7.099 -18.347 -15.621 1.00 5.31 C ATOM 1972 NH1 ARG A 133 -6.497 -19.492 -15.282 1.00 5.38 N ATOM 1973 NH2 ARG A 133 -7.268 -18.024 -16.907 1.00 6.67 N ATOM 0 H ARG A 133 -4.103 -17.481 -10.632 1.00 2.22 H new ATOM 0 HA ARG A 133 -4.346 -15.001 -12.101 1.00 2.11 H new ATOM 0 HB2 ARG A 133 -6.275 -16.927 -10.719 1.00 2.46 H new ATOM 0 HB3 ARG A 133 -6.801 -15.499 -11.586 1.00 2.46 H new ATOM 0 HG2 ARG A 133 -5.593 -16.354 -13.645 1.00 3.00 H new ATOM 0 HG3 ARG A 133 -5.190 -17.815 -12.766 1.00 3.00 H new ATOM 0 HD2 ARG A 133 -7.330 -18.666 -12.922 1.00 3.33 H new ATOM 0 HD3 ARG A 133 -8.084 -17.102 -12.682 1.00 3.33 H new ATOM 0 HE ARG A 133 -8.055 -16.698 -14.984 1.00 4.54 H new ATOM 0 HH11 ARG A 133 -6.358 -19.723 -14.298 1.00 5.38 H new ATOM 0 HH12 ARG A 133 -6.177 -20.134 -16.007 1.00 5.38 H new ATOM 0 HH21 ARG A 133 -7.714 -17.141 -17.157 1.00 6.67 H new ATOM 0 HH22 ARG A 133 -6.951 -18.660 -17.639 1.00 6.67 H new ATOM 1987 N PRO A 134 -5.262 -13.344 -10.327 1.00 1.33 N ATOM 1988 CA PRO A 134 -5.448 -12.329 -9.302 1.00 1.01 C ATOM 1989 C PRO A 134 -6.729 -12.535 -8.492 1.00 0.94 C ATOM 1990 O PRO A 134 -6.674 -12.517 -7.263 1.00 1.10 O ATOM 1991 CB PRO A 134 -5.462 -10.991 -10.049 1.00 0.87 C ATOM 1992 CG PRO A 134 -5.971 -11.357 -11.446 1.00 1.08 C ATOM 1993 CD PRO A 134 -5.472 -12.786 -11.656 1.00 1.40 C ATOM 0 HA PRO A 134 -4.647 -12.374 -8.564 1.00 1.01 H new ATOM 0 HB2 PRO A 134 -6.116 -10.268 -9.562 1.00 0.87 H new ATOM 0 HB3 PRO A 134 -4.468 -10.545 -10.090 1.00 0.87 H new ATOM 0 HG2 PRO A 134 -7.058 -11.301 -11.503 1.00 1.08 H new ATOM 0 HG3 PRO A 134 -5.577 -10.681 -12.205 1.00 1.08 H new ATOM 0 HD2 PRO A 134 -6.200 -13.374 -12.214 1.00 1.40 H new ATOM 0 HD3 PRO A 134 -4.547 -12.794 -12.232 1.00 1.40 H new ATOM 2001 N TYR A 135 -7.864 -12.669 -9.177 1.00 0.97 N ATOM 2002 CA TYR A 135 -9.191 -12.873 -8.624 1.00 0.94 C ATOM 2003 C TYR A 135 -9.783 -14.062 -9.373 1.00 1.12 C ATOM 2004 O TYR A 135 -9.303 -14.290 -10.506 1.00 2.19 O ATOM 2005 CB TYR A 135 -10.059 -11.612 -8.799 1.00 0.82 C ATOM 2006 CG TYR A 135 -10.083 -11.011 -10.190 1.00 0.86 C ATOM 2007 CD1 TYR A 135 -11.002 -11.454 -11.159 1.00 1.81 C ATOM 2008 CD2 TYR A 135 -9.185 -9.978 -10.508 1.00 2.17 C ATOM 2009 CE1 TYR A 135 -10.957 -10.917 -12.456 1.00 1.89 C ATOM 2010 CE2 TYR A 135 -9.151 -9.432 -11.798 1.00 2.32 C ATOM 2011 CZ TYR A 135 -10.032 -9.903 -12.777 1.00 1.31 C ATOM 2012 OH TYR A 135 -9.906 -9.412 -14.043 1.00 1.69 O ATOM 2013 OXT TYR A 135 -10.287 -14.968 -8.677 1.00 1.55 O ATOM 0 H TYR A 135 -7.876 -12.635 -10.196 1.00 0.97 H new ATOM 0 HA TYR A 135 -9.150 -13.068 -7.552 1.00 0.94 H new ATOM 0 HB2 TYR A 135 -11.082 -11.856 -8.512 1.00 0.82 H new ATOM 0 HB3 TYR A 135 -9.706 -10.852 -8.102 1.00 0.82 H new ATOM 0 HD1 TYR A 135 -11.738 -12.203 -10.907 1.00 1.81 H new ATOM 0 HD2 TYR A 135 -8.514 -9.601 -9.750 1.00 2.17 H new ATOM 0 HE1 TYR A 135 -11.635 -11.283 -13.212 1.00 1.89 H new ATOM 0 HE2 TYR A 135 -8.446 -8.649 -12.036 1.00 2.32 H new ATOM 0 HH TYR A 135 -10.791 -9.354 -14.461 1.00 1.69 H new TER 2023 TYR A 135