USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 899 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 94 TYR OH : rot -110:sc= 0.969 USER MOD Set 1.2: A 135 TYR OH : rot -51:sc= 1.33 USER MOD Set 2.1: A 1 GLN :FLIP amide:sc= 0.233 F(o=0.5,f=1.3) USER MOD Set 2.2: A 63 THR OG1 : rot 176:sc= 1.06 USER MOD Set 3.1: A 11 HIS : no HE2:sc= 1.32 K(o=2.6,f=-9.8!) USER MOD Set 3.2: A 54 ASN : amide:sc= -0.622 K(o=2.6,f=-2.7!) USER MOD Set 3.3: A 123 TYR OH : rot -39:sc= 1.91 USER MOD Single : A 1 GLN N :NH3+ -177:sc= 0.803 (180deg=0.778) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.246 F(o=-0.76,f=-0.25) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0583 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.57 K(o=0.57,f=-6.6!) USER MOD Single : A 17 GLN : amide:sc= 0.901 K(o=0.9,f=-0.015) USER MOD Single : A 23 MET CE :methyl 170:sc= -0.394 (180deg=-0.894) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.318 X(o=0.32,f=-0.067) USER MOD Single : A 31 SER OG : rot -46:sc= 1.17 USER MOD Single : A 34 GLN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 35 ASN : amide:sc= 0.394 X(o=0.39,f=-0.0056) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD Single : A 39 SER OG : rot 72:sc= 1.12 USER MOD Single : A 45 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.24) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0126 K(o=-0.013,f=-2.2!) USER MOD Single : A 73 SER OG : rot -74:sc= 1.28 USER MOD Single : A 77 SER OG : rot -100:sc= -0.0432 USER MOD Single : A 78 TYR OH : rot -1:sc= 0.336 USER MOD Single : A 79 ASN : amide:sc= 0.218 K(o=0.22,f=-5.3!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.354 K(o=0.35,f=-0.74) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot -80:sc= 1.19 USER MOD Single : A 96 GLN : amide:sc= -0.922 K(o=-0.92,f=-5.2!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 104:sc= 1.33 USER MOD Single : A 120 SER OG : rot -22:sc= 0.103 USER MOD Single : A 122 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.88) USER MOD Single : A 128 ASN : amide:sc= 0.603 K(o=0.6,f=-0.16) USER MOD Single : A 132 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -6.736 9.533 6.172 1.00 1.70 N ATOM 2 CA GLN A 1 -6.174 9.240 4.845 1.00 1.15 C ATOM 3 C GLN A 1 -4.766 8.628 4.919 1.00 1.04 C ATOM 4 O GLN A 1 -4.342 7.967 3.970 1.00 1.22 O ATOM 5 CB GLN A 1 -6.194 10.463 3.923 1.00 1.02 C ATOM 6 CG GLN A 1 -6.547 10.069 2.477 1.00 2.54 C ATOM 7 CD GLN A 1 -6.963 11.257 1.616 1.00 3.03 C ATOM 8 OE1 GLN A 1 -6.364 11.423 0.448 1.00 3.23 O flip ATOM 9 NE2 GLN A 1 -7.858 12.012 1.987 1.00 4.13 N flip ATOM 0 H1 GLN A 1 -7.705 9.896 6.066 1.00 1.70 H new ATOM 0 H2 GLN A 1 -6.752 8.663 6.742 1.00 1.70 H new ATOM 0 H3 GLN A 1 -6.149 10.247 6.648 1.00 1.70 H new ATOM 0 HA GLN A 1 -6.829 8.487 4.407 1.00 1.15 H new ATOM 0 HB2 GLN A 1 -6.920 11.187 4.292 1.00 1.02 H new ATOM 0 HB3 GLN A 1 -5.219 10.951 3.941 1.00 1.02 H new ATOM 0 HG2 GLN A 1 -5.686 9.581 2.020 1.00 2.54 H new ATOM 0 HG3 GLN A 1 -7.356 9.339 2.493 1.00 2.54 H new ATOM 0 HE21 GLN A 1 -8.306 11.866 2.891 1.00 4.13 H new ATOM 0 HE22 GLN A 1 -8.153 12.785 1.391 1.00 4.13 H new ATOM 20 N ASN A 2 -4.025 8.857 6.008 1.00 1.27 N ATOM 21 CA ASN A 2 -2.650 8.406 6.186 1.00 1.46 C ATOM 22 C ASN A 2 -2.541 7.118 7.003 1.00 1.32 C ATOM 23 O ASN A 2 -1.435 6.592 7.157 1.00 2.18 O ATOM 24 CB ASN A 2 -1.855 9.452 6.957 1.00 2.01 C ATOM 25 CG ASN A 2 -1.774 10.813 6.296 1.00 2.45 C ATOM 26 OD1 ASN A 2 -0.876 10.977 5.333 1.00 4.04 O flip ATOM 27 ND2 ASN A 2 -2.483 11.738 6.684 1.00 2.38 N flip ATOM 0 H ASN A 2 -4.380 9.377 6.811 1.00 1.27 H new ATOM 0 HA ASN A 2 -2.267 8.238 5.180 1.00 1.46 H new ATOM 0 HB2 ASN A 2 -2.302 9.571 7.944 1.00 2.01 H new ATOM 0 HB3 ASN A 2 -0.842 9.078 7.108 1.00 2.01 H new ATOM 0 HD21 ASN A 2 -3.165 11.581 7.426 1.00 2.38 H new ATOM 0 HD22 ASN A 2 -2.390 12.663 6.264 1.00 2.38 H new ATOM 34 N SER A 3 -3.614 6.658 7.648 1.00 1.30 N ATOM 35 CA SER A 3 -3.484 5.606 8.647 1.00 1.09 C ATOM 36 C SER A 3 -3.244 4.243 7.984 1.00 0.98 C ATOM 37 O SER A 3 -3.549 4.077 6.800 1.00 1.14 O ATOM 38 CB SER A 3 -4.696 5.605 9.590 1.00 1.04 C ATOM 39 OG SER A 3 -5.707 6.504 9.181 1.00 2.02 O ATOM 0 H SER A 3 -4.566 6.993 7.498 1.00 1.30 H new ATOM 0 HA SER A 3 -2.606 5.809 9.260 1.00 1.09 H new ATOM 0 HB2 SER A 3 -5.110 4.598 9.641 1.00 1.04 H new ATOM 0 HB3 SER A 3 -4.368 5.867 10.596 1.00 1.04 H new ATOM 0 HG SER A 3 -6.455 6.464 9.812 1.00 2.02 H new ATOM 45 N PRO A 4 -2.721 3.258 8.731 1.00 0.99 N ATOM 46 CA PRO A 4 -2.513 1.909 8.225 1.00 1.09 C ATOM 47 C PRO A 4 -3.836 1.316 7.736 1.00 0.82 C ATOM 48 O PRO A 4 -3.930 0.811 6.616 1.00 0.81 O ATOM 49 CB PRO A 4 -1.908 1.120 9.388 1.00 1.39 C ATOM 50 CG PRO A 4 -2.299 1.906 10.633 1.00 1.29 C ATOM 51 CD PRO A 4 -2.342 3.347 10.134 1.00 1.17 C ATOM 0 HA PRO A 4 -1.845 1.883 7.364 1.00 1.09 H new ATOM 0 HB2 PRO A 4 -2.299 0.103 9.423 1.00 1.39 H new ATOM 0 HB3 PRO A 4 -0.825 1.042 9.293 1.00 1.39 H new ATOM 0 HG2 PRO A 4 -3.265 1.586 11.025 1.00 1.29 H new ATOM 0 HG3 PRO A 4 -1.572 1.779 11.435 1.00 1.29 H new ATOM 0 HD2 PRO A 4 -3.063 3.937 10.699 1.00 1.17 H new ATOM 0 HD3 PRO A 4 -1.373 3.832 10.249 1.00 1.17 H new ATOM 59 N GLN A 5 -4.884 1.435 8.560 1.00 0.71 N ATOM 60 CA GLN A 5 -6.213 0.969 8.205 1.00 0.72 C ATOM 61 C GLN A 5 -6.676 1.545 6.869 1.00 0.66 C ATOM 62 O GLN A 5 -7.553 0.966 6.243 1.00 0.81 O ATOM 63 CB GLN A 5 -7.231 1.306 9.304 1.00 0.71 C ATOM 64 CG GLN A 5 -7.723 2.759 9.228 1.00 1.82 C ATOM 65 CD GLN A 5 -8.776 3.084 10.267 1.00 2.46 C ATOM 66 OE1 GLN A 5 -9.147 2.259 11.095 1.00 2.80 O ATOM 67 NE2 GLN A 5 -9.310 4.294 10.218 1.00 3.64 N ATOM 0 H GLN A 5 -4.826 1.857 9.487 1.00 0.71 H new ATOM 0 HA GLN A 5 -6.153 -0.115 8.104 1.00 0.72 H new ATOM 0 HB2 GLN A 5 -8.084 0.633 9.223 1.00 0.71 H new ATOM 0 HB3 GLN A 5 -6.778 1.130 10.280 1.00 0.71 H new ATOM 0 HG2 GLN A 5 -6.874 3.431 9.357 1.00 1.82 H new ATOM 0 HG3 GLN A 5 -8.131 2.947 8.235 1.00 1.82 H new ATOM 0 HE21 GLN A 5 -8.988 4.966 9.522 1.00 3.64 H new ATOM 0 HE22 GLN A 5 -10.044 4.555 10.877 1.00 3.64 H new ATOM 76 N ASP A 6 -6.181 2.718 6.463 1.00 0.54 N ATOM 77 CA ASP A 6 -6.724 3.407 5.306 1.00 0.52 C ATOM 78 C ASP A 6 -6.332 2.641 4.052 1.00 0.47 C ATOM 79 O ASP A 6 -7.174 2.431 3.178 1.00 0.56 O ATOM 80 CB ASP A 6 -6.252 4.863 5.214 1.00 0.68 C ATOM 81 CG ASP A 6 -6.631 5.743 6.381 1.00 0.98 C ATOM 82 OD1 ASP A 6 -7.373 5.321 7.287 1.00 2.15 O ATOM 83 OD2 ASP A 6 -6.212 6.912 6.397 1.00 1.81 O ATOM 0 H ASP A 6 -5.409 3.202 6.921 1.00 0.54 H new ATOM 0 HA ASP A 6 -7.809 3.440 5.407 1.00 0.52 H new ATOM 0 HB2 ASP A 6 -5.167 4.869 5.114 1.00 0.68 H new ATOM 0 HB3 ASP A 6 -6.659 5.302 4.303 1.00 0.68 H new ATOM 88 N TYR A 7 -5.067 2.209 3.949 1.00 0.46 N ATOM 89 CA TYR A 7 -4.677 1.409 2.800 1.00 0.53 C ATOM 90 C TYR A 7 -5.539 0.146 2.803 1.00 0.56 C ATOM 91 O TYR A 7 -6.186 -0.177 1.806 1.00 0.53 O ATOM 92 CB TYR A 7 -3.181 1.057 2.808 1.00 0.70 C ATOM 93 CG TYR A 7 -2.211 2.205 3.040 1.00 0.70 C ATOM 94 CD1 TYR A 7 -1.601 2.874 1.961 1.00 1.45 C ATOM 95 CD2 TYR A 7 -1.711 2.405 4.337 1.00 2.24 C ATOM 96 CE1 TYR A 7 -0.493 3.708 2.190 1.00 1.38 C ATOM 97 CE2 TYR A 7 -0.572 3.195 4.558 1.00 2.87 C ATOM 98 CZ TYR A 7 0.038 3.856 3.482 1.00 1.89 C ATOM 99 OH TYR A 7 1.234 4.493 3.652 1.00 2.54 O ATOM 0 H TYR A 7 -4.327 2.396 4.625 1.00 0.46 H new ATOM 0 HA TYR A 7 -4.838 1.985 1.889 1.00 0.53 H new ATOM 0 HB2 TYR A 7 -3.012 0.307 3.581 1.00 0.70 H new ATOM 0 HB3 TYR A 7 -2.936 0.592 1.853 1.00 0.70 H new ATOM 0 HD1 TYR A 7 -1.984 2.746 0.959 1.00 1.45 H new ATOM 0 HD2 TYR A 7 -2.210 1.944 5.177 1.00 2.24 H new ATOM 0 HE1 TYR A 7 -0.045 4.241 1.364 1.00 1.38 H new ATOM 0 HE2 TYR A 7 -0.166 3.294 5.554 1.00 2.87 H new ATOM 0 HH TYR A 7 1.461 4.513 4.605 1.00 2.54 H new ATOM 109 N LEU A 8 -5.566 -0.546 3.945 1.00 0.61 N ATOM 110 CA LEU A 8 -6.417 -1.709 4.168 1.00 0.55 C ATOM 111 C LEU A 8 -7.846 -1.484 3.697 1.00 0.56 C ATOM 112 O LEU A 8 -8.412 -2.332 3.019 1.00 0.59 O ATOM 113 CB LEU A 8 -6.431 -2.086 5.654 1.00 0.49 C ATOM 114 CG LEU A 8 -5.432 -3.192 5.983 1.00 0.40 C ATOM 115 CD1 LEU A 8 -5.295 -3.268 7.501 1.00 0.50 C ATOM 116 CD2 LEU A 8 -5.924 -4.551 5.472 1.00 0.46 C ATOM 0 H LEU A 8 -4.987 -0.307 4.750 1.00 0.61 H new ATOM 0 HA LEU A 8 -5.993 -2.522 3.579 1.00 0.55 H new ATOM 0 HB2 LEU A 8 -6.202 -1.204 6.252 1.00 0.49 H new ATOM 0 HB3 LEU A 8 -7.433 -2.410 5.934 1.00 0.49 H new ATOM 0 HG LEU A 8 -4.480 -2.964 5.504 1.00 0.40 H new ATOM 0 HD11 LEU A 8 -4.585 -4.052 7.763 1.00 0.50 H new ATOM 0 HD12 LEU A 8 -4.937 -2.312 7.882 1.00 0.50 H new ATOM 0 HD13 LEU A 8 -6.265 -3.494 7.943 1.00 0.50 H new ATOM 0 HD21 LEU A 8 -5.192 -5.320 5.721 1.00 0.46 H new ATOM 0 HD22 LEU A 8 -6.878 -4.793 5.941 1.00 0.46 H new ATOM 0 HD23 LEU A 8 -6.052 -4.508 4.390 1.00 0.46 H new ATOM 128 N ALA A 9 -8.438 -0.356 4.069 1.00 0.52 N ATOM 129 CA ALA A 9 -9.824 -0.073 3.785 1.00 0.49 C ATOM 130 C ALA A 9 -10.045 -0.116 2.285 1.00 0.41 C ATOM 131 O ALA A 9 -10.927 -0.827 1.830 1.00 0.40 O ATOM 132 CB ALA A 9 -10.236 1.271 4.380 1.00 0.50 C ATOM 0 H ALA A 9 -7.960 0.387 4.579 1.00 0.52 H new ATOM 0 HA ALA A 9 -10.454 -0.831 4.250 1.00 0.49 H new ATOM 0 HB1 ALA A 9 -11.285 1.463 4.153 1.00 0.50 H new ATOM 0 HB2 ALA A 9 -10.097 1.248 5.461 1.00 0.50 H new ATOM 0 HB3 ALA A 9 -9.621 2.062 3.951 1.00 0.50 H new ATOM 138 N VAL A 10 -9.230 0.599 1.509 1.00 0.40 N ATOM 139 CA VAL A 10 -9.368 0.593 0.057 1.00 0.41 C ATOM 140 C VAL A 10 -9.161 -0.824 -0.487 1.00 0.39 C ATOM 141 O VAL A 10 -9.886 -1.269 -1.370 1.00 0.41 O ATOM 142 CB VAL A 10 -8.388 1.582 -0.587 1.00 0.49 C ATOM 143 CG1 VAL A 10 -8.584 1.616 -2.110 1.00 0.61 C ATOM 144 CG2 VAL A 10 -8.591 3.001 -0.059 1.00 0.54 C ATOM 0 H VAL A 10 -8.473 1.185 1.861 1.00 0.40 H new ATOM 0 HA VAL A 10 -10.378 0.914 -0.199 1.00 0.41 H new ATOM 0 HB VAL A 10 -7.384 1.240 -0.335 1.00 0.49 H new ATOM 0 HG11 VAL A 10 -7.881 2.322 -2.552 1.00 0.61 H new ATOM 0 HG12 VAL A 10 -8.407 0.622 -2.522 1.00 0.61 H new ATOM 0 HG13 VAL A 10 -9.603 1.927 -2.339 1.00 0.61 H new ATOM 0 HG21 VAL A 10 -7.879 3.673 -0.538 1.00 0.54 H new ATOM 0 HG22 VAL A 10 -9.606 3.330 -0.281 1.00 0.54 H new ATOM 0 HG23 VAL A 10 -8.433 3.014 1.019 1.00 0.54 H new ATOM 154 N HIS A 11 -8.155 -1.536 0.017 1.00 0.40 N ATOM 155 CA HIS A 11 -7.890 -2.906 -0.403 1.00 0.42 C ATOM 156 C HIS A 11 -9.110 -3.800 -0.192 1.00 0.48 C ATOM 157 O HIS A 11 -9.456 -4.621 -1.041 1.00 0.64 O ATOM 158 CB HIS A 11 -6.692 -3.449 0.378 1.00 0.42 C ATOM 159 CG HIS A 11 -5.391 -2.987 -0.199 1.00 0.44 C ATOM 160 ND1 HIS A 11 -4.856 -1.734 -0.055 1.00 0.50 N ATOM 161 CD2 HIS A 11 -4.607 -3.679 -1.077 1.00 0.51 C ATOM 162 CE1 HIS A 11 -3.760 -1.670 -0.818 1.00 0.60 C ATOM 163 NE2 HIS A 11 -3.582 -2.822 -1.485 1.00 0.65 N ATOM 0 H HIS A 11 -7.508 -1.182 0.721 1.00 0.40 H new ATOM 0 HA HIS A 11 -7.665 -2.906 -1.470 1.00 0.42 H new ATOM 0 HB2 HIS A 11 -6.762 -3.129 1.418 1.00 0.42 H new ATOM 0 HB3 HIS A 11 -6.722 -4.539 0.377 1.00 0.42 H new ATOM 0 HD1 HIS A 11 -5.227 -0.985 0.529 1.00 0.50 H new ATOM 0 HD2 HIS A 11 -4.752 -4.700 -1.397 1.00 0.51 H new ATOM 0 HE1 HIS A 11 -3.109 -0.811 -0.888 1.00 0.60 H new ATOM 171 N ASN A 12 -9.716 -3.680 0.979 1.00 0.43 N ATOM 172 CA ASN A 12 -10.846 -4.488 1.389 1.00 0.51 C ATOM 173 C ASN A 12 -12.097 -4.015 0.650 1.00 0.43 C ATOM 174 O ASN A 12 -12.941 -4.836 0.314 1.00 0.44 O ATOM 175 CB ASN A 12 -10.976 -4.466 2.919 1.00 0.79 C ATOM 176 CG ASN A 12 -9.868 -5.272 3.607 1.00 1.06 C ATOM 177 OD1 ASN A 12 -9.222 -6.126 3.004 1.00 1.83 O ATOM 178 ND2 ASN A 12 -9.606 -5.026 4.885 1.00 0.97 N ATOM 0 H ASN A 12 -9.427 -3.002 1.684 1.00 0.43 H new ATOM 0 HA ASN A 12 -10.700 -5.533 1.117 1.00 0.51 H new ATOM 0 HB2 ASN A 12 -10.944 -3.434 3.270 1.00 0.79 H new ATOM 0 HB3 ASN A 12 -11.947 -4.870 3.205 1.00 0.79 H new ATOM 0 HD21 ASN A 12 -8.870 -5.545 5.364 1.00 0.97 H new ATOM 0 HD22 ASN A 12 -10.141 -4.318 5.388 1.00 0.97 H new ATOM 185 N ASP A 13 -12.193 -2.727 0.315 1.00 0.45 N ATOM 186 CA ASP A 13 -13.174 -2.186 -0.623 1.00 0.45 C ATOM 187 C ASP A 13 -13.094 -2.914 -1.956 1.00 0.42 C ATOM 188 O ASP A 13 -14.033 -3.578 -2.378 1.00 0.49 O ATOM 189 CB ASP A 13 -12.952 -0.680 -0.837 1.00 0.53 C ATOM 190 CG ASP A 13 -14.220 0.125 -0.838 1.00 0.67 C ATOM 191 OD1 ASP A 13 -15.205 -0.319 -1.452 1.00 1.42 O ATOM 192 OD2 ASP A 13 -14.214 1.206 -0.204 1.00 2.01 O ATOM 0 H ASP A 13 -11.573 -2.014 0.700 1.00 0.45 H new ATOM 0 HA ASP A 13 -14.166 -2.335 -0.196 1.00 0.45 H new ATOM 0 HB2 ASP A 13 -12.294 -0.304 -0.053 1.00 0.53 H new ATOM 0 HB3 ASP A 13 -12.436 -0.529 -1.785 1.00 0.53 H new ATOM 197 N ALA A 14 -11.942 -2.802 -2.612 1.00 0.39 N ATOM 198 CA ALA A 14 -11.712 -3.357 -3.933 1.00 0.38 C ATOM 199 C ALA A 14 -12.042 -4.849 -3.938 1.00 0.38 C ATOM 200 O ALA A 14 -12.677 -5.347 -4.865 1.00 0.47 O ATOM 201 CB ALA A 14 -10.264 -3.081 -4.345 1.00 0.42 C ATOM 0 H ALA A 14 -11.132 -2.314 -2.230 1.00 0.39 H new ATOM 0 HA ALA A 14 -12.367 -2.883 -4.664 1.00 0.38 H new ATOM 0 HB1 ALA A 14 -10.083 -3.495 -5.337 1.00 0.42 H new ATOM 0 HB2 ALA A 14 -10.090 -2.005 -4.363 1.00 0.42 H new ATOM 0 HB3 ALA A 14 -9.587 -3.546 -3.629 1.00 0.42 H new ATOM 207 N ARG A 15 -11.616 -5.566 -2.897 1.00 0.35 N ATOM 208 CA ARG A 15 -11.970 -6.966 -2.723 1.00 0.40 C ATOM 209 C ARG A 15 -13.475 -7.157 -2.551 1.00 0.44 C ATOM 210 O ARG A 15 -14.061 -7.987 -3.239 1.00 0.51 O ATOM 211 CB ARG A 15 -11.184 -7.558 -1.549 1.00 0.45 C ATOM 212 CG ARG A 15 -9.757 -7.851 -2.018 1.00 0.67 C ATOM 213 CD ARG A 15 -9.007 -8.682 -0.969 1.00 1.19 C ATOM 214 NE ARG A 15 -7.568 -8.800 -1.228 1.00 1.26 N ATOM 215 CZ ARG A 15 -6.749 -7.751 -1.289 1.00 2.27 C ATOM 216 NH1 ARG A 15 -7.217 -6.565 -0.915 1.00 2.94 N ATOM 217 NH2 ARG A 15 -5.512 -7.895 -1.764 1.00 3.61 N ATOM 0 H ARG A 15 -11.020 -5.191 -2.158 1.00 0.35 H new ATOM 0 HA ARG A 15 -11.696 -7.505 -3.630 1.00 0.40 H new ATOM 0 HB2 ARG A 15 -11.172 -6.861 -0.711 1.00 0.45 H new ATOM 0 HB3 ARG A 15 -11.662 -8.472 -1.196 1.00 0.45 H new ATOM 0 HG2 ARG A 15 -9.783 -8.388 -2.966 1.00 0.67 H new ATOM 0 HG3 ARG A 15 -9.227 -6.915 -2.196 1.00 0.67 H new ATOM 0 HD2 ARG A 15 -9.155 -8.231 0.012 1.00 1.19 H new ATOM 0 HD3 ARG A 15 -9.443 -9.680 -0.930 1.00 1.19 H new ATOM 0 HE ARG A 15 -7.175 -9.731 -1.368 1.00 1.26 H new ATOM 0 HH11 ARG A 15 -8.180 -6.476 -0.592 1.00 2.94 H new ATOM 0 HH12 ARG A 15 -6.613 -5.744 -0.951 1.00 2.94 H new ATOM 0 HH21 ARG A 15 -5.191 -8.810 -2.082 1.00 3.61 H new ATOM 0 HH22 ARG A 15 -4.886 -7.091 -1.810 1.00 3.61 H new ATOM 231 N ALA A 16 -14.097 -6.410 -1.642 1.00 0.47 N ATOM 232 CA ALA A 16 -15.523 -6.487 -1.355 1.00 0.62 C ATOM 233 C ALA A 16 -16.326 -6.342 -2.643 1.00 0.72 C ATOM 234 O ALA A 16 -17.263 -7.101 -2.897 1.00 0.83 O ATOM 235 CB ALA A 16 -15.911 -5.391 -0.356 1.00 0.71 C ATOM 0 H ALA A 16 -13.610 -5.718 -1.072 1.00 0.47 H new ATOM 0 HA ALA A 16 -15.747 -7.459 -0.916 1.00 0.62 H new ATOM 0 HB1 ALA A 16 -16.979 -5.453 -0.145 1.00 0.71 H new ATOM 0 HB2 ALA A 16 -15.350 -5.526 0.568 1.00 0.71 H new ATOM 0 HB3 ALA A 16 -15.681 -4.414 -0.781 1.00 0.71 H new ATOM 241 N GLN A 17 -15.951 -5.365 -3.461 1.00 0.73 N ATOM 242 CA GLN A 17 -16.596 -5.069 -4.724 1.00 0.86 C ATOM 243 C GLN A 17 -16.664 -6.304 -5.628 1.00 0.95 C ATOM 244 O GLN A 17 -17.631 -6.444 -6.373 1.00 1.25 O ATOM 245 CB GLN A 17 -15.891 -3.879 -5.386 1.00 0.86 C ATOM 246 CG GLN A 17 -16.163 -2.577 -4.613 1.00 1.38 C ATOM 247 CD GLN A 17 -15.230 -1.461 -5.064 1.00 1.39 C ATOM 248 OE1 GLN A 17 -15.069 -1.235 -6.263 1.00 2.18 O ATOM 249 NE2 GLN A 17 -14.593 -0.751 -4.142 1.00 1.80 N ATOM 0 H GLN A 17 -15.169 -4.744 -3.254 1.00 0.73 H new ATOM 0 HA GLN A 17 -17.633 -4.787 -4.543 1.00 0.86 H new ATOM 0 HB2 GLN A 17 -14.818 -4.064 -5.427 1.00 0.86 H new ATOM 0 HB3 GLN A 17 -16.236 -3.774 -6.415 1.00 0.86 H new ATOM 0 HG2 GLN A 17 -17.198 -2.272 -4.764 1.00 1.38 H new ATOM 0 HG3 GLN A 17 -16.035 -2.752 -3.545 1.00 1.38 H new ATOM 0 HE21 GLN A 17 -14.739 -0.952 -3.153 1.00 1.80 H new ATOM 0 HE22 GLN A 17 -13.958 -0.004 -4.422 1.00 1.80 H new ATOM 258 N VAL A 18 -15.685 -7.211 -5.560 1.00 0.80 N ATOM 259 CA VAL A 18 -15.698 -8.468 -6.305 1.00 0.89 C ATOM 260 C VAL A 18 -15.636 -9.678 -5.363 1.00 0.76 C ATOM 261 O VAL A 18 -15.101 -10.726 -5.719 1.00 0.88 O ATOM 262 CB VAL A 18 -14.603 -8.458 -7.388 1.00 1.00 C ATOM 263 CG1 VAL A 18 -15.053 -7.561 -8.549 1.00 1.45 C ATOM 264 CG2 VAL A 18 -13.242 -7.980 -6.860 1.00 0.91 C ATOM 0 H VAL A 18 -14.855 -7.090 -4.980 1.00 0.80 H new ATOM 0 HA VAL A 18 -16.648 -8.566 -6.830 1.00 0.89 H new ATOM 0 HB VAL A 18 -14.466 -9.486 -7.724 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -14.282 -7.549 -9.320 1.00 1.45 H new ATOM 0 HG12 VAL A 18 -15.981 -7.949 -8.970 1.00 1.45 H new ATOM 0 HG13 VAL A 18 -15.216 -6.547 -8.183 1.00 1.45 H new ATOM 0 HG21 VAL A 18 -12.512 -7.995 -7.669 1.00 0.91 H new ATOM 0 HG22 VAL A 18 -13.337 -6.964 -6.476 1.00 0.91 H new ATOM 0 HG23 VAL A 18 -12.910 -8.641 -6.059 1.00 0.91 H new ATOM 274 N GLY A 19 -16.225 -9.550 -4.173 1.00 0.76 N ATOM 275 CA GLY A 19 -16.481 -10.668 -3.281 1.00 0.75 C ATOM 276 C GLY A 19 -15.247 -11.498 -2.922 1.00 0.80 C ATOM 277 O GLY A 19 -15.362 -12.712 -2.724 1.00 1.10 O ATOM 0 H GLY A 19 -16.539 -8.653 -3.802 1.00 0.76 H new ATOM 0 HA2 GLY A 19 -16.925 -10.287 -2.361 1.00 0.75 H new ATOM 0 HA3 GLY A 19 -17.220 -11.322 -3.744 1.00 0.75 H new ATOM 281 N VAL A 20 -14.081 -10.866 -2.807 1.00 0.65 N ATOM 282 CA VAL A 20 -12.856 -11.503 -2.339 1.00 0.66 C ATOM 283 C VAL A 20 -12.768 -11.271 -0.822 1.00 0.66 C ATOM 284 O VAL A 20 -13.243 -10.247 -0.330 1.00 0.68 O ATOM 285 CB VAL A 20 -11.650 -10.919 -3.100 1.00 0.64 C ATOM 286 CG1 VAL A 20 -10.355 -11.659 -2.767 1.00 0.78 C ATOM 287 CG2 VAL A 20 -11.806 -10.960 -4.626 1.00 0.74 C ATOM 0 H VAL A 20 -13.961 -9.880 -3.041 1.00 0.65 H new ATOM 0 HA VAL A 20 -12.856 -12.576 -2.530 1.00 0.66 H new ATOM 0 HB VAL A 20 -11.607 -9.881 -2.770 1.00 0.64 H new ATOM 0 HG11 VAL A 20 -9.529 -11.216 -3.324 1.00 0.78 H new ATOM 0 HG12 VAL A 20 -10.155 -11.580 -1.698 1.00 0.78 H new ATOM 0 HG13 VAL A 20 -10.455 -12.709 -3.041 1.00 0.78 H new ATOM 0 HG21 VAL A 20 -10.919 -10.533 -5.094 1.00 0.74 H new ATOM 0 HG22 VAL A 20 -11.926 -11.993 -4.952 1.00 0.74 H new ATOM 0 HG23 VAL A 20 -12.684 -10.383 -4.918 1.00 0.74 H new ATOM 297 N GLY A 21 -12.194 -12.205 -0.063 1.00 0.71 N ATOM 298 CA GLY A 21 -12.017 -12.045 1.379 1.00 0.74 C ATOM 299 C GLY A 21 -10.994 -10.956 1.715 1.00 0.64 C ATOM 300 O GLY A 21 -10.101 -10.712 0.908 1.00 0.68 O ATOM 0 H GLY A 21 -11.841 -13.089 -0.429 1.00 0.71 H new ATOM 0 HA2 GLY A 21 -12.975 -11.796 1.836 1.00 0.74 H new ATOM 0 HA3 GLY A 21 -11.694 -12.992 1.812 1.00 0.74 H new ATOM 304 N PRO A 22 -11.103 -10.293 2.876 1.00 0.70 N ATOM 305 CA PRO A 22 -10.270 -9.152 3.232 1.00 0.70 C ATOM 306 C PRO A 22 -8.841 -9.569 3.609 1.00 0.72 C ATOM 307 O PRO A 22 -8.508 -10.753 3.626 1.00 0.96 O ATOM 308 CB PRO A 22 -10.996 -8.495 4.412 1.00 0.91 C ATOM 309 CG PRO A 22 -11.688 -9.677 5.094 1.00 1.05 C ATOM 310 CD PRO A 22 -12.091 -10.554 3.909 1.00 0.93 C ATOM 0 HA PRO A 22 -10.145 -8.469 2.392 1.00 0.70 H new ATOM 0 HB2 PRO A 22 -10.300 -7.992 5.084 1.00 0.91 H new ATOM 0 HB3 PRO A 22 -11.714 -7.746 4.077 1.00 0.91 H new ATOM 0 HG2 PRO A 22 -11.018 -10.200 5.777 1.00 1.05 H new ATOM 0 HG3 PRO A 22 -12.553 -9.360 5.677 1.00 1.05 H new ATOM 0 HD2 PRO A 22 -12.099 -11.608 4.186 1.00 0.93 H new ATOM 0 HD3 PRO A 22 -13.095 -10.308 3.563 1.00 0.93 H new ATOM 318 N MET A 23 -8.003 -8.584 3.942 1.00 0.74 N ATOM 319 CA MET A 23 -6.646 -8.758 4.458 1.00 0.71 C ATOM 320 C MET A 23 -6.500 -8.051 5.811 1.00 0.67 C ATOM 321 O MET A 23 -7.420 -7.346 6.238 1.00 0.72 O ATOM 322 CB MET A 23 -5.612 -8.257 3.434 1.00 0.72 C ATOM 323 CG MET A 23 -6.125 -7.167 2.486 1.00 0.84 C ATOM 324 SD MET A 23 -4.859 -6.362 1.473 1.00 1.16 S ATOM 325 CE MET A 23 -3.846 -7.769 1.002 1.00 0.94 C ATOM 0 H MET A 23 -8.264 -7.602 3.855 1.00 0.74 H new ATOM 0 HA MET A 23 -6.457 -9.820 4.617 1.00 0.71 H new ATOM 0 HB2 MET A 23 -4.745 -7.873 3.972 1.00 0.72 H new ATOM 0 HB3 MET A 23 -5.269 -9.104 2.840 1.00 0.72 H new ATOM 0 HG2 MET A 23 -6.871 -7.606 1.824 1.00 0.84 H new ATOM 0 HG3 MET A 23 -6.633 -6.405 3.077 1.00 0.84 H new ATOM 0 HE1 MET A 23 -3.133 -7.464 0.236 1.00 0.94 H new ATOM 0 HE2 MET A 23 -3.306 -8.137 1.875 1.00 0.94 H new ATOM 0 HE3 MET A 23 -4.483 -8.561 0.609 1.00 0.94 H new ATOM 335 N SER A 24 -5.356 -8.248 6.474 1.00 0.67 N ATOM 336 CA SER A 24 -4.991 -7.651 7.752 1.00 0.59 C ATOM 337 C SER A 24 -3.711 -6.830 7.648 1.00 0.48 C ATOM 338 O SER A 24 -2.991 -6.881 6.648 1.00 0.56 O ATOM 339 CB SER A 24 -4.887 -8.730 8.842 1.00 0.83 C ATOM 340 OG SER A 24 -3.550 -9.077 9.174 1.00 0.91 O ATOM 0 H SER A 24 -4.626 -8.860 6.111 1.00 0.67 H new ATOM 0 HA SER A 24 -5.784 -6.959 8.037 1.00 0.59 H new ATOM 0 HB2 SER A 24 -5.396 -8.378 9.740 1.00 0.83 H new ATOM 0 HB3 SER A 24 -5.413 -9.624 8.508 1.00 0.83 H new ATOM 0 HG SER A 24 -3.554 -9.765 9.872 1.00 0.91 H new ATOM 346 N TRP A 25 -3.431 -6.089 8.720 1.00 0.44 N ATOM 347 CA TRP A 25 -2.222 -5.290 8.829 1.00 0.47 C ATOM 348 C TRP A 25 -1.120 -6.179 9.384 1.00 0.57 C ATOM 349 O TRP A 25 -1.112 -6.465 10.581 1.00 1.27 O ATOM 350 CB TRP A 25 -2.407 -4.053 9.722 1.00 0.54 C ATOM 351 CG TRP A 25 -1.364 -3.008 9.475 1.00 0.52 C ATOM 352 CD1 TRP A 25 -0.415 -2.568 10.333 1.00 0.61 C ATOM 353 CD2 TRP A 25 -1.155 -2.271 8.241 1.00 0.43 C ATOM 354 NE1 TRP A 25 0.344 -1.590 9.717 1.00 0.56 N ATOM 355 CE2 TRP A 25 -0.077 -1.358 8.422 1.00 0.45 C ATOM 356 CE3 TRP A 25 -1.792 -2.280 6.987 1.00 0.45 C ATOM 357 CZ2 TRP A 25 0.312 -0.459 7.415 1.00 0.45 C ATOM 358 CZ3 TRP A 25 -1.422 -1.383 5.980 1.00 0.50 C ATOM 359 CH2 TRP A 25 -0.417 -0.432 6.212 1.00 0.48 C ATOM 0 H TRP A 25 -4.040 -6.029 9.536 1.00 0.44 H new ATOM 0 HA TRP A 25 -1.963 -4.915 7.839 1.00 0.47 H new ATOM 0 HB2 TRP A 25 -3.394 -3.626 9.546 1.00 0.54 H new ATOM 0 HB3 TRP A 25 -2.373 -4.356 10.769 1.00 0.54 H new ATOM 0 HD1 TRP A 25 -0.272 -2.925 11.342 1.00 0.61 H new ATOM 0 HE1 TRP A 25 1.119 -1.100 10.164 1.00 0.56 H new ATOM 0 HE3 TRP A 25 -2.581 -2.993 6.798 1.00 0.45 H new ATOM 0 HZ2 TRP A 25 1.155 0.199 7.562 1.00 0.45 H new ATOM 0 HZ3 TRP A 25 -1.912 -1.423 5.019 1.00 0.50 H new ATOM 0 HH2 TRP A 25 -0.203 0.320 5.467 1.00 0.48 H new ATOM 370 N ASP A 26 -0.191 -6.609 8.539 1.00 0.55 N ATOM 371 CA ASP A 26 1.024 -7.240 8.997 1.00 0.54 C ATOM 372 C ASP A 26 2.040 -6.156 9.352 1.00 0.68 C ATOM 373 O ASP A 26 2.498 -5.392 8.498 1.00 1.27 O ATOM 374 CB ASP A 26 1.580 -8.193 7.947 1.00 0.58 C ATOM 375 CG ASP A 26 2.733 -8.954 8.551 1.00 1.68 C ATOM 376 OD1 ASP A 26 3.812 -8.379 8.767 1.00 2.72 O ATOM 377 OD2 ASP A 26 2.538 -10.139 8.888 1.00 2.74 O ATOM 0 H ASP A 26 -0.265 -6.527 7.525 1.00 0.55 H new ATOM 0 HA ASP A 26 0.808 -7.837 9.883 1.00 0.54 H new ATOM 0 HB2 ASP A 26 0.805 -8.883 7.614 1.00 0.58 H new ATOM 0 HB3 ASP A 26 1.911 -7.638 7.070 1.00 0.58 H new ATOM 382 N ALA A 27 2.393 -6.083 10.630 1.00 0.54 N ATOM 383 CA ALA A 27 3.291 -5.058 11.133 1.00 0.61 C ATOM 384 C ALA A 27 4.683 -5.194 10.512 1.00 0.55 C ATOM 385 O ALA A 27 5.377 -4.192 10.324 1.00 0.57 O ATOM 386 CB ALA A 27 3.373 -5.173 12.655 1.00 0.77 C ATOM 0 H ALA A 27 2.064 -6.733 11.344 1.00 0.54 H new ATOM 0 HA ALA A 27 2.902 -4.078 10.858 1.00 0.61 H new ATOM 0 HB1 ALA A 27 4.045 -4.407 13.042 1.00 0.77 H new ATOM 0 HB2 ALA A 27 2.381 -5.035 13.084 1.00 0.77 H new ATOM 0 HB3 ALA A 27 3.752 -6.159 12.926 1.00 0.77 H new ATOM 392 N ASN A 28 5.096 -6.423 10.204 1.00 0.54 N ATOM 393 CA ASN A 28 6.420 -6.704 9.679 1.00 0.55 C ATOM 394 C ASN A 28 6.468 -6.200 8.252 1.00 0.49 C ATOM 395 O ASN A 28 7.400 -5.490 7.892 1.00 0.52 O ATOM 396 CB ASN A 28 6.777 -8.197 9.717 1.00 0.62 C ATOM 397 CG ASN A 28 6.344 -8.883 11.000 1.00 1.02 C ATOM 398 OD1 ASN A 28 7.071 -8.926 11.990 1.00 1.47 O ATOM 399 ND2 ASN A 28 5.128 -9.410 11.002 1.00 2.27 N ATOM 0 H ASN A 28 4.513 -7.253 10.315 1.00 0.54 H new ATOM 0 HA ASN A 28 7.153 -6.199 10.308 1.00 0.55 H new ATOM 0 HB2 ASN A 28 6.309 -8.697 8.869 1.00 0.62 H new ATOM 0 HB3 ASN A 28 7.855 -8.309 9.598 1.00 0.62 H new ATOM 0 HD21 ASN A 28 4.772 -9.867 11.841 1.00 2.27 H new ATOM 0 HD22 ASN A 28 4.548 -9.358 10.164 1.00 2.27 H new ATOM 406 N LEU A 29 5.456 -6.507 7.439 1.00 0.46 N ATOM 407 CA LEU A 29 5.370 -5.944 6.106 1.00 0.43 C ATOM 408 C LEU A 29 5.428 -4.425 6.168 1.00 0.36 C ATOM 409 O LEU A 29 6.120 -3.807 5.363 1.00 0.36 O ATOM 410 CB LEU A 29 4.077 -6.366 5.419 1.00 0.50 C ATOM 411 CG LEU A 29 3.975 -7.849 5.057 1.00 0.70 C ATOM 412 CD1 LEU A 29 2.726 -7.993 4.190 1.00 1.12 C ATOM 413 CD2 LEU A 29 5.172 -8.362 4.258 1.00 0.58 C ATOM 0 H LEU A 29 4.694 -7.138 7.685 1.00 0.46 H new ATOM 0 HA LEU A 29 6.217 -6.320 5.532 1.00 0.43 H new ATOM 0 HB2 LEU A 29 3.241 -6.111 6.070 1.00 0.50 H new ATOM 0 HB3 LEU A 29 3.962 -5.779 4.508 1.00 0.50 H new ATOM 0 HG LEU A 29 3.940 -8.431 5.978 1.00 0.70 H new ATOM 0 HD11 LEU A 29 2.602 -9.037 3.900 1.00 1.12 H new ATOM 0 HD12 LEU A 29 1.852 -7.667 4.754 1.00 1.12 H new ATOM 0 HD13 LEU A 29 2.831 -7.378 3.296 1.00 1.12 H new ATOM 0 HD21 LEU A 29 5.034 -9.420 4.035 1.00 0.58 H new ATOM 0 HD22 LEU A 29 5.254 -7.803 3.326 1.00 0.58 H new ATOM 0 HD23 LEU A 29 6.083 -8.230 4.842 1.00 0.58 H new ATOM 425 N ALA A 30 4.703 -3.818 7.107 1.00 0.35 N ATOM 426 CA ALA A 30 4.724 -2.372 7.235 1.00 0.34 C ATOM 427 C ALA A 30 6.156 -1.904 7.497 1.00 0.36 C ATOM 428 O ALA A 30 6.651 -1.023 6.800 1.00 0.38 O ATOM 429 CB ALA A 30 3.724 -1.909 8.295 1.00 0.38 C ATOM 0 H ALA A 30 4.105 -4.301 7.778 1.00 0.35 H new ATOM 0 HA ALA A 30 4.402 -1.907 6.303 1.00 0.34 H new ATOM 0 HB1 ALA A 30 3.756 -0.822 8.375 1.00 0.38 H new ATOM 0 HB2 ALA A 30 2.720 -2.223 8.010 1.00 0.38 H new ATOM 0 HB3 ALA A 30 3.983 -2.351 9.257 1.00 0.38 H new ATOM 435 N SER A 31 6.851 -2.531 8.451 1.00 0.42 N ATOM 436 CA SER A 31 8.222 -2.187 8.768 1.00 0.49 C ATOM 437 C SER A 31 9.134 -2.354 7.545 1.00 0.49 C ATOM 438 O SER A 31 9.957 -1.490 7.267 1.00 0.56 O ATOM 439 CB SER A 31 8.675 -2.993 9.993 1.00 0.56 C ATOM 440 OG SER A 31 9.157 -4.284 9.673 1.00 0.93 O ATOM 0 H SER A 31 6.471 -3.289 9.019 1.00 0.42 H new ATOM 0 HA SER A 31 8.291 -1.132 9.031 1.00 0.49 H new ATOM 0 HB2 SER A 31 9.458 -2.440 10.512 1.00 0.56 H new ATOM 0 HB3 SER A 31 7.838 -3.088 10.685 1.00 0.56 H new ATOM 0 HG SER A 31 8.541 -4.717 9.046 1.00 0.93 H new ATOM 446 N ARG A 32 8.980 -3.451 6.804 1.00 0.49 N ATOM 447 CA ARG A 32 9.745 -3.794 5.612 1.00 0.56 C ATOM 448 C ARG A 32 9.546 -2.709 4.549 1.00 0.48 C ATOM 449 O ARG A 32 10.516 -2.194 3.996 1.00 0.52 O ATOM 450 CB ARG A 32 9.286 -5.195 5.161 1.00 0.68 C ATOM 451 CG ARG A 32 9.868 -5.790 3.887 1.00 1.10 C ATOM 452 CD ARG A 32 9.331 -7.226 3.707 1.00 2.24 C ATOM 453 NE ARG A 32 9.565 -7.787 2.361 1.00 3.73 N ATOM 454 CZ ARG A 32 10.517 -8.664 1.997 1.00 4.35 C ATOM 455 NH1 ARG A 32 11.437 -9.100 2.860 1.00 4.00 N ATOM 456 NH2 ARG A 32 10.567 -9.114 0.746 1.00 5.90 N ATOM 0 H ARG A 32 8.282 -4.159 7.033 1.00 0.49 H new ATOM 0 HA ARG A 32 10.818 -3.833 5.802 1.00 0.56 H new ATOM 0 HB2 ARG A 32 9.499 -5.888 5.975 1.00 0.68 H new ATOM 0 HB3 ARG A 32 8.203 -5.164 5.044 1.00 0.68 H new ATOM 0 HG2 ARG A 32 9.596 -5.177 3.028 1.00 1.10 H new ATOM 0 HG3 ARG A 32 10.957 -5.800 3.940 1.00 1.10 H new ATOM 0 HD2 ARG A 32 9.800 -7.874 4.447 1.00 2.24 H new ATOM 0 HD3 ARG A 32 8.260 -7.232 3.911 1.00 2.24 H new ATOM 0 HE ARG A 32 8.933 -7.474 1.624 1.00 3.73 H new ATOM 0 HH11 ARG A 32 11.430 -8.768 3.824 1.00 4.00 H new ATOM 0 HH12 ARG A 32 12.147 -9.766 2.555 1.00 4.00 H new ATOM 0 HH21 ARG A 32 9.882 -8.794 0.061 1.00 5.90 H new ATOM 0 HH22 ARG A 32 11.290 -9.779 0.472 1.00 5.90 H new ATOM 470 N ALA A 33 8.294 -2.343 4.275 1.00 0.39 N ATOM 471 CA ALA A 33 7.952 -1.282 3.337 1.00 0.36 C ATOM 472 C ALA A 33 8.618 0.028 3.766 1.00 0.40 C ATOM 473 O ALA A 33 9.372 0.636 3.007 1.00 0.56 O ATOM 474 CB ALA A 33 6.429 -1.128 3.267 1.00 0.38 C ATOM 0 H ALA A 33 7.481 -2.783 4.706 1.00 0.39 H new ATOM 0 HA ALA A 33 8.319 -1.540 2.343 1.00 0.36 H new ATOM 0 HB1 ALA A 33 6.175 -0.334 2.565 1.00 0.38 H new ATOM 0 HB2 ALA A 33 5.984 -2.065 2.932 1.00 0.38 H new ATOM 0 HB3 ALA A 33 6.043 -0.876 4.255 1.00 0.38 H new ATOM 480 N GLN A 34 8.364 0.444 5.008 1.00 0.40 N ATOM 481 CA GLN A 34 8.932 1.611 5.637 1.00 0.54 C ATOM 482 C GLN A 34 10.442 1.649 5.436 1.00 0.53 C ATOM 483 O GLN A 34 10.977 2.649 4.970 1.00 0.55 O ATOM 484 CB GLN A 34 8.599 1.495 7.132 1.00 0.84 C ATOM 485 CG GLN A 34 7.386 2.278 7.593 1.00 1.81 C ATOM 486 CD GLN A 34 7.752 3.666 8.096 1.00 1.63 C ATOM 487 OE1 GLN A 34 7.320 4.067 9.173 1.00 2.81 O ATOM 488 NE2 GLN A 34 8.573 4.399 7.353 1.00 1.57 N ATOM 0 H GLN A 34 7.723 -0.057 5.623 1.00 0.40 H new ATOM 0 HA GLN A 34 8.527 2.526 5.205 1.00 0.54 H new ATOM 0 HB2 GLN A 34 8.443 0.443 7.371 1.00 0.84 H new ATOM 0 HB3 GLN A 34 9.464 1.827 7.706 1.00 0.84 H new ATOM 0 HG2 GLN A 34 6.679 2.368 6.768 1.00 1.81 H new ATOM 0 HG3 GLN A 34 6.881 1.728 8.387 1.00 1.81 H new ATOM 0 HE21 GLN A 34 8.915 4.038 6.463 1.00 1.57 H new ATOM 0 HE22 GLN A 34 8.862 5.323 7.673 1.00 1.57 H new ATOM 497 N ASN A 35 11.107 0.567 5.821 1.00 0.56 N ATOM 498 CA ASN A 35 12.550 0.396 5.785 1.00 0.67 C ATOM 499 C ASN A 35 13.038 0.592 4.366 1.00 0.64 C ATOM 500 O ASN A 35 13.891 1.428 4.095 1.00 0.68 O ATOM 501 CB ASN A 35 12.909 -1.030 6.229 1.00 0.81 C ATOM 502 CG ASN A 35 13.259 -1.125 7.701 1.00 1.11 C ATOM 503 OD1 ASN A 35 14.362 -1.529 8.058 1.00 2.10 O ATOM 504 ND2 ASN A 35 12.318 -0.825 8.579 1.00 2.00 N ATOM 0 H ASN A 35 10.627 -0.256 6.185 1.00 0.56 H new ATOM 0 HA ASN A 35 13.016 1.123 6.451 1.00 0.67 H new ATOM 0 HB2 ASN A 35 12.069 -1.692 6.018 1.00 0.81 H new ATOM 0 HB3 ASN A 35 13.752 -1.387 5.638 1.00 0.81 H new ATOM 0 HD21 ASN A 35 12.501 -0.927 9.577 1.00 2.00 H new ATOM 0 HD22 ASN A 35 11.409 -0.491 8.258 1.00 2.00 H new ATOM 511 N TYR A 36 12.498 -0.195 3.442 1.00 0.66 N ATOM 512 CA TYR A 36 12.824 -0.121 2.032 1.00 0.70 C ATOM 513 C TYR A 36 12.746 1.332 1.543 1.00 0.71 C ATOM 514 O TYR A 36 13.722 1.877 1.027 1.00 0.82 O ATOM 515 CB TYR A 36 11.871 -1.077 1.304 1.00 0.73 C ATOM 516 CG TYR A 36 12.092 -1.169 -0.182 1.00 0.79 C ATOM 517 CD1 TYR A 36 11.568 -0.169 -1.016 1.00 1.74 C ATOM 518 CD2 TYR A 36 12.791 -2.255 -0.737 1.00 2.04 C ATOM 519 CE1 TYR A 36 11.893 -0.163 -2.377 1.00 1.95 C ATOM 520 CE2 TYR A 36 13.054 -2.270 -2.116 1.00 2.10 C ATOM 521 CZ TYR A 36 12.747 -1.149 -2.894 1.00 1.39 C ATOM 522 OH TYR A 36 13.122 -1.127 -4.199 1.00 1.82 O ATOM 0 H TYR A 36 11.809 -0.914 3.661 1.00 0.66 H new ATOM 0 HA TYR A 36 13.848 -0.432 1.827 1.00 0.70 H new ATOM 0 HB2 TYR A 36 11.975 -2.072 1.736 1.00 0.73 H new ATOM 0 HB3 TYR A 36 10.845 -0.756 1.487 1.00 0.73 H new ATOM 0 HD1 TYR A 36 10.918 0.591 -0.610 1.00 1.74 H new ATOM 0 HD2 TYR A 36 13.122 -3.069 -0.109 1.00 2.04 H new ATOM 0 HE1 TYR A 36 11.488 0.598 -3.027 1.00 1.95 H new ATOM 0 HE2 TYR A 36 13.492 -3.144 -2.575 1.00 2.10 H new ATOM 0 HH TYR A 36 13.716 -1.885 -4.382 1.00 1.82 H new ATOM 532 N ALA A 37 11.592 1.965 1.739 1.00 0.64 N ATOM 533 CA ALA A 37 11.352 3.348 1.359 1.00 0.69 C ATOM 534 C ALA A 37 12.411 4.272 1.976 1.00 0.71 C ATOM 535 O ALA A 37 13.030 5.078 1.287 1.00 0.84 O ATOM 536 CB ALA A 37 9.929 3.716 1.799 1.00 0.67 C ATOM 0 H ALA A 37 10.785 1.520 2.175 1.00 0.64 H new ATOM 0 HA ALA A 37 11.434 3.472 0.279 1.00 0.69 H new ATOM 0 HB1 ALA A 37 9.720 4.750 1.527 1.00 0.67 H new ATOM 0 HB2 ALA A 37 9.214 3.059 1.304 1.00 0.67 H new ATOM 0 HB3 ALA A 37 9.841 3.600 2.879 1.00 0.67 H new ATOM 542 N ASN A 38 12.626 4.131 3.283 1.00 0.64 N ATOM 543 CA ASN A 38 13.595 4.894 4.067 1.00 0.72 C ATOM 544 C ASN A 38 14.983 4.787 3.448 1.00 0.79 C ATOM 545 O ASN A 38 15.673 5.789 3.255 1.00 0.95 O ATOM 546 CB ASN A 38 13.634 4.382 5.515 1.00 0.76 C ATOM 547 CG ASN A 38 12.739 5.190 6.441 1.00 0.88 C ATOM 548 OD1 ASN A 38 13.217 5.862 7.352 1.00 2.08 O ATOM 549 ND2 ASN A 38 11.434 5.110 6.246 1.00 1.43 N ATOM 0 H ASN A 38 12.110 3.456 3.847 1.00 0.64 H new ATOM 0 HA ASN A 38 13.286 5.939 4.067 1.00 0.72 H new ATOM 0 HB2 ASN A 38 13.325 3.337 5.536 1.00 0.76 H new ATOM 0 HB3 ASN A 38 14.659 4.418 5.883 1.00 0.76 H new ATOM 0 HD21 ASN A 38 10.795 5.614 6.860 1.00 1.43 H new ATOM 0 HD22 ASN A 38 11.066 4.544 5.481 1.00 1.43 H new ATOM 556 N SER A 39 15.403 3.559 3.165 1.00 0.75 N ATOM 557 CA SER A 39 16.740 3.251 2.705 1.00 0.92 C ATOM 558 C SER A 39 17.048 4.010 1.420 1.00 1.08 C ATOM 559 O SER A 39 18.100 4.641 1.312 1.00 1.43 O ATOM 560 CB SER A 39 16.876 1.743 2.490 1.00 0.94 C ATOM 561 OG SER A 39 16.618 1.035 3.689 1.00 1.91 O ATOM 0 H SER A 39 14.806 2.737 3.253 1.00 0.75 H new ATOM 0 HA SER A 39 17.459 3.564 3.462 1.00 0.92 H new ATOM 0 HB2 SER A 39 16.182 1.418 1.715 1.00 0.94 H new ATOM 0 HB3 SER A 39 17.880 1.512 2.136 1.00 0.94 H new ATOM 0 HG SER A 39 15.661 1.076 3.894 1.00 1.91 H new ATOM 567 N ARG A 40 16.140 3.967 0.446 1.00 1.06 N ATOM 568 CA ARG A 40 16.421 4.532 -0.868 1.00 1.41 C ATOM 569 C ARG A 40 16.271 6.057 -0.898 1.00 1.57 C ATOM 570 O ARG A 40 16.423 6.642 -1.965 1.00 2.15 O ATOM 571 CB ARG A 40 15.545 3.871 -1.941 1.00 1.61 C ATOM 572 CG ARG A 40 15.680 2.341 -1.931 1.00 1.91 C ATOM 573 CD ARG A 40 15.345 1.741 -3.304 1.00 1.84 C ATOM 574 NE ARG A 40 16.527 1.688 -4.189 1.00 2.44 N ATOM 575 CZ ARG A 40 17.415 0.680 -4.251 1.00 3.52 C ATOM 576 NH1 ARG A 40 17.304 -0.376 -3.443 1.00 4.15 N ATOM 577 NH2 ARG A 40 18.403 0.756 -5.136 1.00 4.33 N ATOM 0 H ARG A 40 15.214 3.551 0.542 1.00 1.06 H new ATOM 0 HA ARG A 40 17.466 4.318 -1.090 1.00 1.41 H new ATOM 0 HB2 ARG A 40 14.503 4.144 -1.777 1.00 1.61 H new ATOM 0 HB3 ARG A 40 15.824 4.253 -2.923 1.00 1.61 H new ATOM 0 HG2 ARG A 40 16.696 2.066 -1.650 1.00 1.91 H new ATOM 0 HG3 ARG A 40 15.016 1.920 -1.176 1.00 1.91 H new ATOM 0 HD2 ARG A 40 14.945 0.735 -3.172 1.00 1.84 H new ATOM 0 HD3 ARG A 40 14.564 2.335 -3.778 1.00 1.84 H new ATOM 0 HE ARG A 40 16.683 2.485 -4.806 1.00 2.44 H new ATOM 0 HH11 ARG A 40 16.540 -0.425 -2.769 1.00 4.15 H new ATOM 0 HH12 ARG A 40 17.983 -1.135 -3.499 1.00 4.15 H new ATOM 0 HH21 ARG A 40 18.476 1.567 -5.750 1.00 4.33 H new ATOM 0 HH22 ARG A 40 19.088 0.003 -5.201 1.00 4.33 H new ATOM 591 N ALA A 41 15.966 6.706 0.231 1.00 1.48 N ATOM 592 CA ALA A 41 15.482 8.081 0.234 1.00 1.43 C ATOM 593 C ALA A 41 16.333 9.081 -0.555 1.00 1.39 C ATOM 594 O ALA A 41 15.791 10.043 -1.099 1.00 1.93 O ATOM 595 CB ALA A 41 15.232 8.567 1.658 1.00 1.51 C ATOM 0 H ALA A 41 16.049 6.292 1.160 1.00 1.48 H new ATOM 0 HA ALA A 41 14.538 8.044 -0.309 1.00 1.43 H new ATOM 0 HB1 ALA A 41 14.872 9.595 1.633 1.00 1.51 H new ATOM 0 HB2 ALA A 41 14.485 7.932 2.133 1.00 1.51 H new ATOM 0 HB3 ALA A 41 16.161 8.522 2.226 1.00 1.51 H new ATOM 601 N GLY A 42 17.647 8.868 -0.624 1.00 1.70 N ATOM 602 CA GLY A 42 18.546 9.730 -1.371 1.00 1.75 C ATOM 603 C GLY A 42 18.130 9.893 -2.834 1.00 1.67 C ATOM 604 O GLY A 42 18.276 10.989 -3.381 1.00 1.93 O ATOM 0 H GLY A 42 18.114 8.089 -0.160 1.00 1.70 H new ATOM 0 HA2 GLY A 42 18.580 10.711 -0.896 1.00 1.75 H new ATOM 0 HA3 GLY A 42 19.555 9.320 -1.328 1.00 1.75 H new ATOM 608 N ASP A 43 17.657 8.814 -3.470 1.00 1.53 N ATOM 609 CA ASP A 43 17.227 8.795 -4.869 1.00 1.71 C ATOM 610 C ASP A 43 15.721 8.527 -4.896 1.00 1.76 C ATOM 611 O ASP A 43 14.931 9.393 -5.270 1.00 2.74 O ATOM 612 CB ASP A 43 18.061 7.791 -5.699 1.00 1.95 C ATOM 613 CG ASP A 43 17.332 6.509 -6.051 1.00 2.26 C ATOM 614 OD1 ASP A 43 17.294 5.609 -5.186 1.00 3.09 O ATOM 615 OD2 ASP A 43 16.719 6.466 -7.137 1.00 3.00 O ATOM 0 H ASP A 43 17.561 7.908 -3.012 1.00 1.53 H new ATOM 0 HA ASP A 43 17.407 9.759 -5.346 1.00 1.71 H new ATOM 0 HB2 ASP A 43 18.380 8.278 -6.621 1.00 1.95 H new ATOM 0 HB3 ASP A 43 18.964 7.540 -5.142 1.00 1.95 H new ATOM 620 N CYS A 44 15.315 7.356 -4.406 1.00 1.43 N ATOM 621 CA CYS A 44 13.936 6.987 -4.152 1.00 1.51 C ATOM 622 C CYS A 44 13.105 6.990 -5.435 1.00 1.39 C ATOM 623 O CYS A 44 11.908 7.278 -5.427 1.00 1.96 O ATOM 624 CB CYS A 44 13.410 7.953 -3.105 1.00 2.12 C ATOM 625 SG CYS A 44 11.952 7.463 -2.194 1.00 2.50 S ATOM 0 H CYS A 44 15.971 6.612 -4.168 1.00 1.43 H new ATOM 0 HA CYS A 44 13.866 5.965 -3.780 1.00 1.51 H new ATOM 0 HB2 CYS A 44 14.209 8.140 -2.387 1.00 2.12 H new ATOM 0 HB3 CYS A 44 13.196 8.901 -3.598 1.00 2.12 H new ATOM 630 N ASN A 45 13.734 6.649 -6.561 1.00 1.52 N ATOM 631 CA ASN A 45 13.140 6.729 -7.890 1.00 2.01 C ATOM 632 C ASN A 45 12.180 5.576 -8.194 1.00 1.77 C ATOM 633 O ASN A 45 12.412 4.800 -9.120 1.00 2.77 O ATOM 634 CB ASN A 45 14.267 6.779 -8.926 1.00 2.83 C ATOM 635 CG ASN A 45 13.725 7.015 -10.330 1.00 3.52 C ATOM 636 OD1 ASN A 45 13.976 6.230 -11.244 1.00 4.02 O ATOM 637 ND2 ASN A 45 12.968 8.085 -10.526 1.00 4.82 N ATOM 0 H ASN A 45 14.693 6.302 -6.571 1.00 1.52 H new ATOM 0 HA ASN A 45 12.536 7.636 -7.933 1.00 2.01 H new ATOM 0 HB2 ASN A 45 14.966 7.574 -8.666 1.00 2.83 H new ATOM 0 HB3 ASN A 45 14.825 5.843 -8.903 1.00 2.83 H new ATOM 0 HD21 ASN A 45 12.579 8.272 -11.450 1.00 4.82 H new ATOM 0 HD22 ASN A 45 12.774 8.721 -9.753 1.00 4.82 H new ATOM 644 N LEU A 46 11.096 5.450 -7.422 1.00 2.04 N ATOM 645 CA LEU A 46 10.090 4.392 -7.540 1.00 1.82 C ATOM 646 C LEU A 46 10.698 3.034 -7.909 1.00 1.97 C ATOM 647 O LEU A 46 10.189 2.329 -8.778 1.00 2.09 O ATOM 648 CB LEU A 46 9.003 4.799 -8.541 1.00 1.76 C ATOM 649 CG LEU A 46 8.025 5.886 -8.076 1.00 1.61 C ATOM 650 CD1 LEU A 46 6.923 5.962 -9.137 1.00 1.68 C ATOM 651 CD2 LEU A 46 7.355 5.549 -6.740 1.00 1.63 C ATOM 0 H LEU A 46 10.888 6.107 -6.670 1.00 2.04 H new ATOM 0 HA LEU A 46 9.637 4.269 -6.556 1.00 1.82 H new ATOM 0 HB2 LEU A 46 9.490 5.144 -9.453 1.00 1.76 H new ATOM 0 HB3 LEU A 46 8.428 3.910 -8.802 1.00 1.76 H new ATOM 0 HG LEU A 46 8.576 6.818 -7.945 1.00 1.61 H new ATOM 0 HD11 LEU A 46 6.197 6.724 -8.854 1.00 1.68 H new ATOM 0 HD12 LEU A 46 7.363 6.220 -10.100 1.00 1.68 H new ATOM 0 HD13 LEU A 46 6.424 4.996 -9.213 1.00 1.68 H new ATOM 0 HD21 LEU A 46 6.674 6.353 -6.461 1.00 1.63 H new ATOM 0 HD22 LEU A 46 6.796 4.618 -6.838 1.00 1.63 H new ATOM 0 HD23 LEU A 46 8.117 5.435 -5.969 1.00 1.63 H new ATOM 718 N ALA A 51 7.044 -7.991 -8.377 1.00 2.40 N ATOM 719 CA ALA A 51 5.968 -8.606 -7.604 1.00 1.80 C ATOM 720 C ALA A 51 6.049 -8.162 -6.138 1.00 1.51 C ATOM 721 O ALA A 51 6.883 -7.331 -5.789 1.00 2.92 O ATOM 722 CB ALA A 51 5.985 -10.134 -7.746 1.00 2.09 C ATOM 0 HA ALA A 51 5.012 -8.266 -8.003 1.00 1.80 H new ATOM 0 HB1 ALA A 51 5.173 -10.563 -7.159 1.00 2.09 H new ATOM 0 HB2 ALA A 51 5.857 -10.403 -8.794 1.00 2.09 H new ATOM 0 HB3 ALA A 51 6.937 -10.522 -7.385 1.00 2.09 H new ATOM 728 N GLY A 52 5.141 -8.655 -5.297 1.00 0.87 N ATOM 729 CA GLY A 52 5.173 -8.534 -3.843 1.00 0.96 C ATOM 730 C GLY A 52 4.789 -7.142 -3.343 1.00 0.82 C ATOM 731 O GLY A 52 4.263 -7.018 -2.239 1.00 1.48 O ATOM 0 H GLY A 52 4.327 -9.173 -5.627 1.00 0.87 H new ATOM 0 HA2 GLY A 52 4.494 -9.268 -3.409 1.00 0.96 H new ATOM 0 HA3 GLY A 52 6.174 -8.777 -3.487 1.00 0.96 H new ATOM 735 N GLU A 53 5.021 -6.110 -4.155 1.00 0.67 N ATOM 736 CA GLU A 53 4.866 -4.718 -3.820 1.00 0.58 C ATOM 737 C GLU A 53 4.199 -3.935 -4.957 1.00 0.63 C ATOM 738 O GLU A 53 4.202 -4.357 -6.117 1.00 0.89 O ATOM 739 CB GLU A 53 6.268 -4.149 -3.584 1.00 0.73 C ATOM 740 CG GLU A 53 6.960 -4.706 -2.337 1.00 1.25 C ATOM 741 CD GLU A 53 7.707 -5.997 -2.596 1.00 2.60 C ATOM 742 OE1 GLU A 53 8.607 -5.960 -3.455 1.00 3.19 O ATOM 743 OE2 GLU A 53 7.447 -6.983 -1.877 1.00 3.97 O ATOM 0 H GLU A 53 5.339 -6.244 -5.115 1.00 0.67 H new ATOM 0 HA GLU A 53 4.233 -4.627 -2.937 1.00 0.58 H new ATOM 0 HB2 GLU A 53 6.887 -4.360 -4.456 1.00 0.73 H new ATOM 0 HB3 GLU A 53 6.200 -3.065 -3.496 1.00 0.73 H new ATOM 0 HG2 GLU A 53 7.657 -3.961 -1.953 1.00 1.25 H new ATOM 0 HG3 GLU A 53 6.214 -4.875 -1.560 1.00 1.25 H new ATOM 750 N ASN A 54 3.707 -2.740 -4.634 1.00 0.60 N ATOM 751 CA ASN A 54 3.415 -1.633 -5.550 1.00 0.79 C ATOM 752 C ASN A 54 3.916 -0.363 -4.853 1.00 0.68 C ATOM 753 O ASN A 54 4.261 -0.417 -3.671 1.00 0.98 O ATOM 754 CB ASN A 54 1.928 -1.546 -5.918 1.00 1.12 C ATOM 755 CG ASN A 54 1.033 -1.406 -4.699 1.00 1.30 C ATOM 756 OD1 ASN A 54 1.337 -0.655 -3.787 1.00 2.81 O ATOM 757 ND2 ASN A 54 -0.069 -2.143 -4.665 1.00 1.32 N ATOM 0 H ASN A 54 3.487 -2.502 -3.667 1.00 0.60 H new ATOM 0 HA ASN A 54 3.919 -1.781 -6.505 1.00 0.79 H new ATOM 0 HB2 ASN A 54 1.770 -0.694 -6.580 1.00 1.12 H new ATOM 0 HB3 ASN A 54 1.642 -2.439 -6.474 1.00 1.12 H new ATOM 0 HD21 ASN A 54 -0.692 -2.092 -3.859 1.00 1.32 H new ATOM 0 HD22 ASN A 54 -0.294 -2.761 -5.445 1.00 1.32 H new ATOM 764 N LEU A 55 4.040 0.748 -5.585 1.00 0.54 N ATOM 765 CA LEU A 55 4.595 1.994 -5.062 1.00 0.52 C ATOM 766 C LEU A 55 3.797 3.173 -5.627 1.00 0.53 C ATOM 767 O LEU A 55 3.043 2.999 -6.589 1.00 0.56 O ATOM 768 CB LEU A 55 6.083 2.143 -5.442 1.00 0.72 C ATOM 769 CG LEU A 55 6.982 0.907 -5.227 1.00 0.76 C ATOM 770 CD1 LEU A 55 8.287 1.037 -6.018 1.00 0.82 C ATOM 771 CD2 LEU A 55 7.345 0.715 -3.752 1.00 0.82 C ATOM 0 H LEU A 55 3.756 0.806 -6.563 1.00 0.54 H new ATOM 0 HA LEU A 55 4.524 1.979 -3.974 1.00 0.52 H new ATOM 0 HB2 LEU A 55 6.139 2.425 -6.493 1.00 0.72 H new ATOM 0 HB3 LEU A 55 6.499 2.970 -4.867 1.00 0.72 H new ATOM 0 HG LEU A 55 6.409 0.047 -5.575 1.00 0.76 H new ATOM 0 HD11 LEU A 55 8.904 0.154 -5.850 1.00 0.82 H new ATOM 0 HD12 LEU A 55 8.061 1.125 -7.081 1.00 0.82 H new ATOM 0 HD13 LEU A 55 8.826 1.924 -5.687 1.00 0.82 H new ATOM 0 HD21 LEU A 55 7.978 -0.166 -3.645 1.00 0.82 H new ATOM 0 HD22 LEU A 55 7.881 1.593 -3.392 1.00 0.82 H new ATOM 0 HD23 LEU A 55 6.435 0.580 -3.168 1.00 0.82 H new ATOM 783 N ALA A 56 3.985 4.365 -5.067 1.00 0.55 N ATOM 784 CA ALA A 56 3.305 5.591 -5.451 1.00 0.50 C ATOM 785 C ALA A 56 4.192 6.799 -5.146 1.00 0.56 C ATOM 786 O ALA A 56 5.106 6.688 -4.331 1.00 0.71 O ATOM 787 CB ALA A 56 1.994 5.682 -4.675 1.00 0.52 C ATOM 0 H ALA A 56 4.644 4.505 -4.301 1.00 0.55 H new ATOM 0 HA ALA A 56 3.097 5.584 -6.521 1.00 0.50 H new ATOM 0 HB1 ALA A 56 1.470 6.597 -4.951 1.00 0.52 H new ATOM 0 HB2 ALA A 56 1.370 4.821 -4.913 1.00 0.52 H new ATOM 0 HB3 ALA A 56 2.204 5.693 -3.606 1.00 0.52 H new ATOM 793 N LYS A 57 3.924 7.927 -5.811 1.00 0.88 N ATOM 794 CA LYS A 57 4.625 9.201 -5.680 1.00 0.84 C ATOM 795 C LYS A 57 3.591 10.335 -5.601 1.00 1.01 C ATOM 796 O LYS A 57 2.444 10.154 -6.017 1.00 1.40 O ATOM 797 CB LYS A 57 5.593 9.405 -6.866 1.00 1.07 C ATOM 798 CG LYS A 57 4.861 9.460 -8.218 1.00 1.57 C ATOM 799 CD LYS A 57 5.770 9.529 -9.457 1.00 1.97 C ATOM 800 CE LYS A 57 6.736 10.722 -9.495 1.00 2.32 C ATOM 801 NZ LYS A 57 8.069 10.426 -8.930 1.00 3.30 N ATOM 0 H LYS A 57 3.168 7.974 -6.494 1.00 0.88 H new ATOM 0 HA LYS A 57 5.221 9.204 -4.767 1.00 0.84 H new ATOM 0 HB2 LYS A 57 6.152 10.330 -6.721 1.00 1.07 H new ATOM 0 HB3 LYS A 57 6.320 8.593 -6.882 1.00 1.07 H new ATOM 0 HG2 LYS A 57 4.225 8.579 -8.304 1.00 1.57 H new ATOM 0 HG3 LYS A 57 4.204 10.330 -8.221 1.00 1.57 H new ATOM 0 HD2 LYS A 57 6.352 8.609 -9.512 1.00 1.97 H new ATOM 0 HD3 LYS A 57 5.142 9.563 -10.347 1.00 1.97 H new ATOM 0 HE2 LYS A 57 6.854 11.050 -10.528 1.00 2.32 H new ATOM 0 HE3 LYS A 57 6.295 11.553 -8.945 1.00 2.32 H new ATOM 0 HZ1 LYS A 57 8.667 11.275 -8.989 1.00 3.30 H new ATOM 0 HZ2 LYS A 57 7.969 10.141 -7.935 1.00 3.30 H new ATOM 0 HZ3 LYS A 57 8.511 9.654 -9.468 1.00 3.30 H new ATOM 815 N GLY A 58 4.003 11.513 -5.126 1.00 0.97 N ATOM 816 CA GLY A 58 3.158 12.705 -5.081 1.00 1.22 C ATOM 817 C GLY A 58 4.016 13.962 -4.926 1.00 1.10 C ATOM 818 O GLY A 58 4.825 14.241 -5.810 1.00 2.02 O ATOM 0 H GLY A 58 4.942 11.666 -4.759 1.00 0.97 H new ATOM 0 HA2 GLY A 58 2.565 12.772 -5.993 1.00 1.22 H new ATOM 0 HA3 GLY A 58 2.457 12.631 -4.249 1.00 1.22 H new ATOM 822 N GLY A 59 3.886 14.674 -3.802 1.00 1.42 N ATOM 823 CA GLY A 59 4.744 15.783 -3.379 1.00 1.57 C ATOM 824 C GLY A 59 4.077 16.617 -2.285 1.00 1.68 C ATOM 825 O GLY A 59 4.645 16.789 -1.204 1.00 2.94 O ATOM 0 H GLY A 59 3.143 14.482 -3.130 1.00 1.42 H new ATOM 0 HA2 GLY A 59 5.693 15.392 -3.013 1.00 1.57 H new ATOM 0 HA3 GLY A 59 4.970 16.418 -4.236 1.00 1.57 H new ATOM 829 N GLY A 60 2.853 17.074 -2.527 1.00 1.15 N ATOM 830 CA GLY A 60 2.016 17.695 -1.515 1.00 1.45 C ATOM 831 C GLY A 60 1.313 16.606 -0.709 1.00 1.31 C ATOM 832 O GLY A 60 0.237 16.161 -1.107 1.00 2.44 O ATOM 0 H GLY A 60 2.411 17.021 -3.445 1.00 1.15 H new ATOM 0 HA2 GLY A 60 2.622 18.318 -0.857 1.00 1.45 H new ATOM 0 HA3 GLY A 60 1.281 18.349 -1.985 1.00 1.45 H new ATOM 836 N ASP A 61 1.941 16.163 0.387 1.00 1.99 N ATOM 837 CA ASP A 61 1.439 15.202 1.373 1.00 2.22 C ATOM 838 C ASP A 61 0.435 14.205 0.795 1.00 1.63 C ATOM 839 O ASP A 61 -0.776 14.352 0.942 1.00 1.56 O ATOM 840 CB ASP A 61 0.975 15.908 2.655 1.00 3.19 C ATOM 841 CG ASP A 61 -0.396 16.543 2.577 1.00 3.50 C ATOM 842 OD1 ASP A 61 -0.575 17.478 1.772 1.00 3.62 O ATOM 843 OD2 ASP A 61 -1.247 16.152 3.404 1.00 4.37 O ATOM 0 H ASP A 61 2.878 16.490 0.623 1.00 1.99 H new ATOM 0 HA ASP A 61 2.278 14.571 1.667 1.00 2.22 H new ATOM 0 HB2 ASP A 61 0.978 15.185 3.471 1.00 3.19 H new ATOM 0 HB3 ASP A 61 1.702 16.679 2.910 1.00 3.19 H new ATOM 848 N PHE A 62 0.936 13.165 0.126 1.00 1.47 N ATOM 849 CA PHE A 62 0.094 12.267 -0.661 1.00 0.98 C ATOM 850 C PHE A 62 -0.615 11.208 0.184 1.00 0.79 C ATOM 851 O PHE A 62 -0.878 10.096 -0.264 1.00 2.06 O ATOM 852 CB PHE A 62 0.905 11.653 -1.811 1.00 0.97 C ATOM 853 CG PHE A 62 0.097 10.982 -2.912 1.00 0.73 C ATOM 854 CD1 PHE A 62 -1.091 11.567 -3.396 1.00 1.86 C ATOM 855 CD2 PHE A 62 0.499 9.726 -3.404 1.00 1.48 C ATOM 856 CE1 PHE A 62 -1.944 10.835 -4.240 1.00 2.29 C ATOM 857 CE2 PHE A 62 -0.339 9.013 -4.277 1.00 1.51 C ATOM 858 CZ PHE A 62 -1.583 9.541 -4.648 1.00 1.56 C ATOM 0 H PHE A 62 1.927 12.924 0.115 1.00 1.47 H new ATOM 0 HA PHE A 62 -0.709 12.866 -1.090 1.00 0.98 H new ATOM 0 HB2 PHE A 62 1.513 12.438 -2.261 1.00 0.97 H new ATOM 0 HB3 PHE A 62 1.593 10.918 -1.393 1.00 0.97 H new ATOM 0 HD1 PHE A 62 -1.346 12.579 -3.118 1.00 1.86 H new ATOM 0 HD2 PHE A 62 1.452 9.311 -3.110 1.00 1.48 H new ATOM 0 HE1 PHE A 62 -2.876 11.267 -4.574 1.00 2.29 H new ATOM 0 HE2 PHE A 62 -0.024 8.055 -4.663 1.00 1.51 H new ATOM 0 HZ PHE A 62 -2.263 8.953 -5.247 1.00 1.56 H new ATOM 868 N THR A 63 -1.022 11.588 1.385 1.00 1.46 N ATOM 869 CA THR A 63 -1.974 10.851 2.186 1.00 1.17 C ATOM 870 C THR A 63 -1.539 9.397 2.417 1.00 1.75 C ATOM 871 O THR A 63 -0.615 9.123 3.186 1.00 3.73 O ATOM 872 CB THR A 63 -3.388 11.135 1.647 1.00 0.74 C ATOM 873 OG1 THR A 63 -3.682 10.456 0.435 1.00 0.95 O ATOM 874 CG2 THR A 63 -3.563 12.649 1.450 1.00 1.25 C ATOM 0 H THR A 63 -0.688 12.439 1.837 1.00 1.46 H new ATOM 0 HA THR A 63 -2.006 11.198 3.219 1.00 1.17 H new ATOM 0 HB THR A 63 -4.090 10.756 2.389 1.00 0.74 H new ATOM 0 HG1 THR A 63 -4.614 10.624 0.183 1.00 0.95 H new ATOM 0 HG21 THR A 63 -4.563 12.853 1.068 1.00 1.25 H new ATOM 0 HG22 THR A 63 -3.428 13.158 2.404 1.00 1.25 H new ATOM 0 HG23 THR A 63 -2.822 13.011 0.737 1.00 1.25 H new ATOM 882 N GLY A 64 -2.226 8.500 1.735 1.00 0.83 N ATOM 883 CA GLY A 64 -1.893 7.100 1.521 1.00 0.73 C ATOM 884 C GLY A 64 -3.093 6.392 0.890 1.00 0.48 C ATOM 885 O GLY A 64 -2.959 5.680 -0.102 1.00 0.54 O ATOM 0 H GLY A 64 -3.103 8.750 1.278 1.00 0.83 H new ATOM 0 HA2 GLY A 64 -1.022 7.016 0.871 1.00 0.73 H new ATOM 0 HA3 GLY A 64 -1.632 6.627 2.467 1.00 0.73 H new ATOM 889 N ARG A 65 -4.297 6.656 1.406 1.00 0.38 N ATOM 890 CA ARG A 65 -5.546 6.112 0.873 1.00 0.41 C ATOM 891 C ARG A 65 -5.650 6.414 -0.626 1.00 0.44 C ATOM 892 O ARG A 65 -5.945 5.527 -1.427 1.00 0.46 O ATOM 893 CB ARG A 65 -6.745 6.702 1.640 1.00 0.62 C ATOM 894 CG ARG A 65 -7.957 5.761 1.692 1.00 1.21 C ATOM 895 CD ARG A 65 -9.095 6.368 2.529 1.00 1.49 C ATOM 896 NE ARG A 65 -10.001 5.355 3.107 1.00 2.58 N ATOM 897 CZ ARG A 65 -10.978 4.681 2.477 1.00 3.00 C ATOM 898 NH1 ARG A 65 -11.172 4.847 1.167 1.00 3.45 N ATOM 899 NH2 ARG A 65 -11.756 3.843 3.161 1.00 4.05 N ATOM 0 H ARG A 65 -4.432 7.261 2.216 1.00 0.38 H new ATOM 0 HA ARG A 65 -5.555 5.030 1.005 1.00 0.41 H new ATOM 0 HB2 ARG A 65 -6.435 6.940 2.658 1.00 0.62 H new ATOM 0 HB3 ARG A 65 -7.042 7.640 1.170 1.00 0.62 H new ATOM 0 HG2 ARG A 65 -8.311 5.563 0.680 1.00 1.21 H new ATOM 0 HG3 ARG A 65 -7.659 4.803 2.118 1.00 1.21 H new ATOM 0 HD2 ARG A 65 -8.666 6.963 3.335 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -9.674 7.048 1.904 1.00 1.49 H new ATOM 0 HE ARG A 65 -9.870 5.143 4.096 1.00 2.58 H new ATOM 0 HH11 ARG A 65 -10.578 5.487 0.641 1.00 3.45 H new ATOM 0 HH12 ARG A 65 -11.915 4.334 0.692 1.00 3.45 H new ATOM 0 HH21 ARG A 65 -11.610 3.713 4.162 1.00 4.05 H new ATOM 0 HH22 ARG A 65 -12.498 3.331 2.683 1.00 4.05 H new ATOM 913 N ALA A 66 -5.383 7.671 -0.994 1.00 0.52 N ATOM 914 CA ALA A 66 -5.421 8.123 -2.379 1.00 0.62 C ATOM 915 C ALA A 66 -4.483 7.293 -3.252 1.00 0.55 C ATOM 916 O ALA A 66 -4.787 7.024 -4.407 1.00 0.57 O ATOM 917 CB ALA A 66 -5.048 9.604 -2.469 1.00 0.77 C ATOM 0 H ALA A 66 -5.133 8.405 -0.331 1.00 0.52 H new ATOM 0 HA ALA A 66 -6.439 7.992 -2.747 1.00 0.62 H new ATOM 0 HB1 ALA A 66 -5.081 9.925 -3.510 1.00 0.77 H new ATOM 0 HB2 ALA A 66 -5.755 10.193 -1.885 1.00 0.77 H new ATOM 0 HB3 ALA A 66 -4.042 9.750 -2.076 1.00 0.77 H new ATOM 923 N ALA A 67 -3.339 6.864 -2.719 1.00 0.51 N ATOM 924 CA ALA A 67 -2.414 6.048 -3.484 1.00 0.54 C ATOM 925 C ALA A 67 -3.090 4.739 -3.881 1.00 0.44 C ATOM 926 O ALA A 67 -3.108 4.374 -5.054 1.00 0.49 O ATOM 927 CB ALA A 67 -1.137 5.814 -2.684 1.00 0.62 C ATOM 0 H ALA A 67 -3.038 7.069 -1.766 1.00 0.51 H new ATOM 0 HA ALA A 67 -2.133 6.568 -4.400 1.00 0.54 H new ATOM 0 HB1 ALA A 67 -0.450 5.201 -3.267 1.00 0.62 H new ATOM 0 HB2 ALA A 67 -0.668 6.772 -2.460 1.00 0.62 H new ATOM 0 HB3 ALA A 67 -1.380 5.302 -1.753 1.00 0.62 H new ATOM 933 N VAL A 68 -3.693 4.043 -2.917 1.00 0.35 N ATOM 934 CA VAL A 68 -4.401 2.813 -3.239 1.00 0.33 C ATOM 935 C VAL A 68 -5.503 3.104 -4.254 1.00 0.34 C ATOM 936 O VAL A 68 -5.609 2.442 -5.283 1.00 0.38 O ATOM 937 CB VAL A 68 -4.954 2.113 -1.993 1.00 0.36 C ATOM 938 CG1 VAL A 68 -5.384 0.696 -2.401 1.00 0.46 C ATOM 939 CG2 VAL A 68 -3.920 2.036 -0.869 1.00 0.40 C ATOM 0 H VAL A 68 -3.704 4.305 -1.931 1.00 0.35 H new ATOM 0 HA VAL A 68 -3.686 2.119 -3.682 1.00 0.33 H new ATOM 0 HB VAL A 68 -5.797 2.688 -1.610 1.00 0.36 H new ATOM 0 HG11 VAL A 68 -5.783 0.172 -1.532 1.00 0.46 H new ATOM 0 HG12 VAL A 68 -6.152 0.757 -3.172 1.00 0.46 H new ATOM 0 HG13 VAL A 68 -4.523 0.152 -2.789 1.00 0.46 H new ATOM 0 HG21 VAL A 68 -4.357 1.532 -0.007 1.00 0.40 H new ATOM 0 HG22 VAL A 68 -3.049 1.478 -1.213 1.00 0.40 H new ATOM 0 HG23 VAL A 68 -3.616 3.043 -0.585 1.00 0.40 H new ATOM 949 N GLN A 69 -6.312 4.115 -3.963 1.00 0.42 N ATOM 950 CA GLN A 69 -7.371 4.572 -4.845 1.00 0.55 C ATOM 951 C GLN A 69 -6.826 4.863 -6.254 1.00 0.58 C ATOM 952 O GLN A 69 -7.521 4.621 -7.241 1.00 0.64 O ATOM 953 CB GLN A 69 -8.022 5.791 -4.187 1.00 0.68 C ATOM 954 CG GLN A 69 -8.814 5.410 -2.921 1.00 0.79 C ATOM 955 CD GLN A 69 -10.309 5.230 -3.169 1.00 1.61 C ATOM 956 OE1 GLN A 69 -10.862 4.148 -2.982 1.00 2.97 O ATOM 957 NE2 GLN A 69 -10.990 6.307 -3.538 1.00 1.87 N ATOM 0 H GLN A 69 -6.247 4.646 -3.095 1.00 0.42 H new ATOM 0 HA GLN A 69 -8.128 3.800 -4.985 1.00 0.55 H new ATOM 0 HB2 GLN A 69 -7.252 6.517 -3.928 1.00 0.68 H new ATOM 0 HB3 GLN A 69 -8.689 6.275 -4.900 1.00 0.68 H new ATOM 0 HG2 GLN A 69 -8.408 4.485 -2.513 1.00 0.79 H new ATOM 0 HG3 GLN A 69 -8.670 6.182 -2.166 1.00 0.79 H new ATOM 0 HE21 GLN A 69 -10.504 7.192 -3.686 1.00 1.87 H new ATOM 0 HE22 GLN A 69 -11.999 6.250 -3.674 1.00 1.87 H new ATOM 966 N LEU A 70 -5.580 5.332 -6.378 1.00 0.61 N ATOM 967 CA LEU A 70 -5.006 5.685 -7.661 1.00 0.74 C ATOM 968 C LEU A 70 -4.706 4.369 -8.376 1.00 0.65 C ATOM 969 O LEU A 70 -4.985 4.232 -9.564 1.00 0.74 O ATOM 970 CB LEU A 70 -3.792 6.605 -7.424 1.00 0.94 C ATOM 971 CG LEU A 70 -2.817 6.882 -8.578 1.00 1.17 C ATOM 972 CD1 LEU A 70 -1.831 5.754 -8.889 1.00 1.72 C ATOM 973 CD2 LEU A 70 -3.551 7.327 -9.841 1.00 2.68 C ATOM 0 H LEU A 70 -4.950 5.474 -5.588 1.00 0.61 H new ATOM 0 HA LEU A 70 -5.670 6.260 -8.306 1.00 0.74 H new ATOM 0 HB2 LEU A 70 -4.173 7.567 -7.080 1.00 0.94 H new ATOM 0 HB3 LEU A 70 -3.215 6.179 -6.603 1.00 0.94 H new ATOM 0 HG LEU A 70 -2.200 7.703 -8.212 1.00 1.17 H new ATOM 0 HD11 LEU A 70 -1.189 6.050 -9.718 1.00 1.72 H new ATOM 0 HD12 LEU A 70 -1.219 5.553 -8.010 1.00 1.72 H new ATOM 0 HD13 LEU A 70 -2.382 4.854 -9.161 1.00 1.72 H new ATOM 0 HD21 LEU A 70 -2.828 7.514 -10.635 1.00 2.68 H new ATOM 0 HD22 LEU A 70 -4.242 6.544 -10.155 1.00 2.68 H new ATOM 0 HD23 LEU A 70 -4.108 8.241 -9.635 1.00 2.68 H new ATOM 985 N TRP A 71 -4.193 3.362 -7.671 1.00 0.57 N ATOM 986 CA TRP A 71 -4.014 2.026 -8.243 1.00 0.64 C ATOM 987 C TRP A 71 -5.362 1.468 -8.717 1.00 0.62 C ATOM 988 O TRP A 71 -5.458 0.902 -9.802 1.00 0.82 O ATOM 989 CB TRP A 71 -3.305 1.092 -7.246 1.00 0.68 C ATOM 990 CG TRP A 71 -2.092 1.671 -6.577 1.00 0.65 C ATOM 991 CD1 TRP A 71 -1.353 2.685 -7.072 1.00 0.69 C ATOM 992 CD2 TRP A 71 -1.570 1.429 -5.233 1.00 0.60 C ATOM 993 NE1 TRP A 71 -0.557 3.198 -6.079 1.00 0.67 N ATOM 994 CE2 TRP A 71 -0.621 2.449 -4.926 1.00 0.61 C ATOM 995 CE3 TRP A 71 -1.844 0.489 -4.218 1.00 0.62 C ATOM 996 CZ2 TRP A 71 -0.020 2.562 -3.663 1.00 0.67 C ATOM 997 CZ3 TRP A 71 -1.235 0.588 -2.954 1.00 0.64 C ATOM 998 CH2 TRP A 71 -0.350 1.638 -2.669 1.00 0.71 C ATOM 0 H TRP A 71 -3.893 3.445 -6.700 1.00 0.57 H new ATOM 0 HA TRP A 71 -3.366 2.096 -9.117 1.00 0.64 H new ATOM 0 HB2 TRP A 71 -4.019 0.799 -6.476 1.00 0.68 H new ATOM 0 HB3 TRP A 71 -3.011 0.183 -7.771 1.00 0.68 H new ATOM 0 HD1 TRP A 71 -1.383 3.038 -8.092 1.00 0.69 H new ATOM 0 HE1 TRP A 71 0.015 4.036 -6.183 1.00 0.67 H new ATOM 0 HE3 TRP A 71 -2.532 -0.320 -4.414 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 0.688 3.353 -3.462 1.00 0.67 H new ATOM 0 HZ3 TRP A 71 -1.451 -0.151 -2.196 1.00 0.64 H new ATOM 0 HH2 TRP A 71 0.076 1.732 -1.681 1.00 0.71 H new ATOM 1009 N VAL A 72 -6.419 1.664 -7.929 1.00 0.47 N ATOM 1010 CA VAL A 72 -7.768 1.234 -8.283 1.00 0.48 C ATOM 1011 C VAL A 72 -8.358 2.078 -9.426 1.00 0.51 C ATOM 1012 O VAL A 72 -9.437 1.754 -9.920 1.00 0.55 O ATOM 1013 CB VAL A 72 -8.661 1.201 -7.023 1.00 0.48 C ATOM 1014 CG1 VAL A 72 -10.095 0.717 -7.293 1.00 0.56 C ATOM 1015 CG2 VAL A 72 -8.080 0.232 -5.986 1.00 0.50 C ATOM 0 H VAL A 72 -6.361 2.128 -7.023 1.00 0.47 H new ATOM 0 HA VAL A 72 -7.722 0.217 -8.673 1.00 0.48 H new ATOM 0 HB VAL A 72 -8.688 2.232 -6.672 1.00 0.48 H new ATOM 0 HG11 VAL A 72 -10.662 0.721 -6.362 1.00 0.56 H new ATOM 0 HG12 VAL A 72 -10.574 1.382 -8.012 1.00 0.56 H new ATOM 0 HG13 VAL A 72 -10.067 -0.295 -7.697 1.00 0.56 H new ATOM 0 HG21 VAL A 72 -8.719 0.218 -5.103 1.00 0.50 H new ATOM 0 HG22 VAL A 72 -8.029 -0.770 -6.413 1.00 0.50 H new ATOM 0 HG23 VAL A 72 -7.079 0.558 -5.704 1.00 0.50 H new ATOM 1025 N SER A 73 -7.689 3.135 -9.911 1.00 0.64 N ATOM 1026 CA SER A 73 -8.204 3.891 -11.054 1.00 0.74 C ATOM 1027 C SER A 73 -8.456 2.987 -12.270 1.00 0.72 C ATOM 1028 O SER A 73 -9.268 3.329 -13.127 1.00 0.84 O ATOM 1029 CB SER A 73 -7.324 5.097 -11.403 1.00 1.07 C ATOM 1030 OG SER A 73 -6.078 4.697 -11.942 1.00 2.38 O ATOM 0 H SER A 73 -6.805 3.479 -9.535 1.00 0.64 H new ATOM 0 HA SER A 73 -9.170 4.295 -10.751 1.00 0.74 H new ATOM 0 HB2 SER A 73 -7.844 5.732 -12.121 1.00 1.07 H new ATOM 0 HB3 SER A 73 -7.158 5.697 -10.508 1.00 1.07 H new ATOM 0 HG SER A 73 -5.511 4.342 -11.226 1.00 2.38 H new ATOM 1036 N GLU A 74 -7.812 1.817 -12.317 1.00 0.73 N ATOM 1037 CA GLU A 74 -8.018 0.724 -13.259 1.00 0.81 C ATOM 1038 C GLU A 74 -9.412 0.065 -13.141 1.00 0.79 C ATOM 1039 O GLU A 74 -9.554 -1.143 -13.318 1.00 1.12 O ATOM 1040 CB GLU A 74 -6.933 -0.318 -12.952 1.00 0.95 C ATOM 1041 CG GLU A 74 -5.484 0.187 -13.052 1.00 1.41 C ATOM 1042 CD GLU A 74 -4.933 0.107 -14.461 1.00 2.31 C ATOM 1043 OE1 GLU A 74 -5.718 0.319 -15.408 1.00 3.48 O ATOM 1044 OE2 GLU A 74 -3.709 -0.124 -14.558 1.00 2.74 O ATOM 0 H GLU A 74 -7.078 1.597 -11.644 1.00 0.73 H new ATOM 0 HA GLU A 74 -7.959 1.115 -14.275 1.00 0.81 H new ATOM 0 HB2 GLU A 74 -7.097 -0.702 -11.945 1.00 0.95 H new ATOM 0 HB3 GLU A 74 -7.055 -1.157 -13.637 1.00 0.95 H new ATOM 0 HG2 GLU A 74 -5.439 1.220 -12.707 1.00 1.41 H new ATOM 0 HG3 GLU A 74 -4.852 -0.400 -12.385 1.00 1.41 H new ATOM 1051 N ARG A 75 -10.463 0.828 -12.842 1.00 0.84 N ATOM 1052 CA ARG A 75 -11.823 0.312 -12.831 1.00 0.95 C ATOM 1053 C ARG A 75 -12.303 -0.061 -14.243 1.00 1.03 C ATOM 1054 O ARG A 75 -12.823 -1.164 -14.407 1.00 1.16 O ATOM 1055 CB ARG A 75 -12.783 1.233 -12.064 1.00 1.06 C ATOM 1056 CG ARG A 75 -14.076 0.462 -11.766 1.00 1.26 C ATOM 1057 CD ARG A 75 -14.897 1.083 -10.629 1.00 1.33 C ATOM 1058 NE ARG A 75 -15.391 2.454 -10.859 1.00 2.34 N ATOM 1059 CZ ARG A 75 -16.178 2.908 -11.848 1.00 3.68 C ATOM 1060 NH1 ARG A 75 -16.589 2.120 -12.838 1.00 4.67 N ATOM 1061 NH2 ARG A 75 -16.575 4.181 -11.867 1.00 4.94 N ATOM 0 H ARG A 75 -10.392 1.817 -12.602 1.00 0.84 H new ATOM 0 HA ARG A 75 -11.820 -0.623 -12.271 1.00 0.95 H new ATOM 0 HB2 ARG A 75 -12.322 1.570 -11.135 1.00 1.06 H new ATOM 0 HB3 ARG A 75 -13.002 2.124 -12.652 1.00 1.06 H new ATOM 0 HG2 ARG A 75 -14.686 0.425 -12.668 1.00 1.26 H new ATOM 0 HG3 ARG A 75 -13.827 -0.567 -11.507 1.00 1.26 H new ATOM 0 HD2 ARG A 75 -15.754 0.438 -10.432 1.00 1.33 H new ATOM 0 HD3 ARG A 75 -14.286 1.085 -9.726 1.00 1.33 H new ATOM 0 HE ARG A 75 -15.095 3.151 -10.175 1.00 2.34 H new ATOM 0 HH11 ARG A 75 -16.307 1.140 -12.861 1.00 4.67 H new ATOM 0 HH12 ARG A 75 -17.186 2.496 -13.574 1.00 4.67 H new ATOM 0 HH21 ARG A 75 -16.281 4.818 -11.127 1.00 4.94 H new ATOM 0 HH22 ARG A 75 -17.173 4.518 -12.622 1.00 4.94 H new ATOM 1075 N PRO A 76 -12.125 0.786 -15.277 1.00 1.07 N ATOM 1076 CA PRO A 76 -12.218 0.376 -16.677 1.00 1.29 C ATOM 1077 C PRO A 76 -11.679 -1.033 -16.932 1.00 1.22 C ATOM 1078 O PRO A 76 -12.288 -1.827 -17.642 1.00 1.72 O ATOM 1079 CB PRO A 76 -11.422 1.425 -17.475 1.00 1.83 C ATOM 1080 CG PRO A 76 -10.770 2.322 -16.421 1.00 1.42 C ATOM 1081 CD PRO A 76 -11.734 2.184 -15.250 1.00 1.14 C ATOM 0 HA PRO A 76 -13.263 0.330 -16.983 1.00 1.29 H new ATOM 0 HB2 PRO A 76 -10.671 0.952 -18.108 1.00 1.83 H new ATOM 0 HB3 PRO A 76 -12.076 2.000 -18.131 1.00 1.83 H new ATOM 0 HG2 PRO A 76 -9.765 1.986 -16.164 1.00 1.42 H new ATOM 0 HG3 PRO A 76 -10.684 3.354 -16.760 1.00 1.42 H new ATOM 0 HD2 PRO A 76 -11.255 2.446 -14.306 1.00 1.14 H new ATOM 0 HD3 PRO A 76 -12.596 2.841 -15.363 1.00 1.14 H new ATOM 1089 N SER A 77 -10.518 -1.338 -16.362 1.00 1.03 N ATOM 1090 CA SER A 77 -9.797 -2.576 -16.558 1.00 1.29 C ATOM 1091 C SER A 77 -10.259 -3.733 -15.665 1.00 1.31 C ATOM 1092 O SER A 77 -9.797 -4.858 -15.850 1.00 1.61 O ATOM 1093 CB SER A 77 -8.306 -2.269 -16.404 1.00 1.64 C ATOM 1094 OG SER A 77 -8.097 -0.984 -15.830 1.00 1.51 O ATOM 0 H SER A 77 -10.040 -0.699 -15.726 1.00 1.03 H new ATOM 0 HA SER A 77 -10.011 -2.946 -17.561 1.00 1.29 H new ATOM 0 HB2 SER A 77 -7.839 -3.029 -15.778 1.00 1.64 H new ATOM 0 HB3 SER A 77 -7.821 -2.317 -17.379 1.00 1.64 H new ATOM 0 HG SER A 77 -7.879 -0.341 -16.537 1.00 1.51 H new ATOM 1100 N TYR A 78 -11.184 -3.510 -14.740 1.00 1.41 N ATOM 1101 CA TYR A 78 -11.769 -4.551 -13.910 1.00 1.69 C ATOM 1102 C TYR A 78 -12.897 -5.186 -14.720 1.00 1.44 C ATOM 1103 O TYR A 78 -13.824 -4.476 -15.119 1.00 1.78 O ATOM 1104 CB TYR A 78 -12.341 -3.892 -12.644 1.00 2.59 C ATOM 1105 CG TYR A 78 -11.706 -4.257 -11.322 1.00 1.18 C ATOM 1106 CD1 TYR A 78 -12.210 -5.362 -10.614 1.00 2.35 C ATOM 1107 CD2 TYR A 78 -10.923 -3.300 -10.646 1.00 2.02 C ATOM 1108 CE1 TYR A 78 -12.100 -5.404 -9.215 1.00 2.57 C ATOM 1109 CE2 TYR A 78 -10.820 -3.347 -9.245 1.00 2.70 C ATOM 1110 CZ TYR A 78 -11.500 -4.340 -8.528 1.00 2.34 C ATOM 1111 OH TYR A 78 -11.611 -4.222 -7.176 1.00 3.37 O ATOM 0 H TYR A 78 -11.555 -2.580 -14.543 1.00 1.41 H new ATOM 0 HA TYR A 78 -11.036 -5.305 -13.623 1.00 1.69 H new ATOM 0 HB2 TYR A 78 -12.269 -2.811 -12.765 1.00 2.59 H new ATOM 0 HB3 TYR A 78 -13.402 -4.136 -12.587 1.00 2.59 H new ATOM 0 HD1 TYR A 78 -12.681 -6.176 -11.145 1.00 2.35 H new ATOM 0 HD2 TYR A 78 -10.404 -2.533 -11.202 1.00 2.02 H new ATOM 0 HE1 TYR A 78 -12.477 -6.256 -8.669 1.00 2.57 H new ATOM 0 HE2 TYR A 78 -10.218 -2.619 -8.722 1.00 2.70 H new ATOM 0 HH TYR A 78 -12.160 -4.955 -6.828 1.00 3.37 H new ATOM 1121 N ASN A 79 -12.848 -6.499 -14.983 1.00 1.18 N ATOM 1122 CA ASN A 79 -13.910 -7.159 -15.736 1.00 1.35 C ATOM 1123 C ASN A 79 -14.652 -8.179 -14.882 1.00 1.46 C ATOM 1124 O ASN A 79 -15.780 -7.907 -14.480 1.00 3.34 O ATOM 1125 CB ASN A 79 -13.403 -7.766 -17.041 1.00 1.84 C ATOM 1126 CG ASN A 79 -14.622 -8.239 -17.819 1.00 2.41 C ATOM 1127 OD1 ASN A 79 -15.108 -9.349 -17.615 1.00 2.89 O ATOM 1128 ND2 ASN A 79 -15.202 -7.355 -18.618 1.00 3.01 N ATOM 0 H ASN A 79 -12.091 -7.115 -14.687 1.00 1.18 H new ATOM 0 HA ASN A 79 -14.628 -6.387 -16.014 1.00 1.35 H new ATOM 0 HB2 ASN A 79 -12.842 -7.029 -17.616 1.00 1.84 H new ATOM 0 HB3 ASN A 79 -12.727 -8.597 -16.842 1.00 1.84 H new ATOM 0 HD21 ASN A 79 -16.078 -7.588 -19.085 1.00 3.01 H new ATOM 0 HD22 ASN A 79 -14.772 -6.442 -18.766 1.00 3.01 H new ATOM 1135 N TYR A 80 -14.030 -9.327 -14.613 1.00 1.38 N ATOM 1136 CA TYR A 80 -14.534 -10.418 -13.775 1.00 1.08 C ATOM 1137 C TYR A 80 -15.466 -11.393 -14.502 1.00 1.49 C ATOM 1138 O TYR A 80 -15.551 -12.542 -14.080 1.00 2.94 O ATOM 1139 CB TYR A 80 -15.128 -9.942 -12.441 1.00 1.06 C ATOM 1140 CG TYR A 80 -15.426 -11.047 -11.439 1.00 1.03 C ATOM 1141 CD1 TYR A 80 -14.383 -11.824 -10.900 1.00 1.65 C ATOM 1142 CD2 TYR A 80 -16.753 -11.293 -11.034 1.00 2.58 C ATOM 1143 CE1 TYR A 80 -14.652 -12.779 -9.904 1.00 1.52 C ATOM 1144 CE2 TYR A 80 -17.024 -12.269 -10.062 1.00 3.01 C ATOM 1145 CZ TYR A 80 -15.974 -12.994 -9.478 1.00 1.75 C ATOM 1146 OH TYR A 80 -16.247 -13.928 -8.525 1.00 2.27 O ATOM 0 H TYR A 80 -13.107 -9.533 -14.996 1.00 1.38 H new ATOM 0 HA TYR A 80 -13.640 -10.992 -13.531 1.00 1.08 H new ATOM 0 HB2 TYR A 80 -14.436 -9.235 -11.984 1.00 1.06 H new ATOM 0 HB3 TYR A 80 -16.051 -9.398 -12.645 1.00 1.06 H new ATOM 0 HD1 TYR A 80 -13.372 -11.686 -11.253 1.00 1.65 H new ATOM 0 HD2 TYR A 80 -17.563 -10.729 -11.472 1.00 2.58 H new ATOM 0 HE1 TYR A 80 -13.844 -13.347 -9.467 1.00 1.52 H new ATOM 0 HE2 TYR A 80 -18.044 -12.462 -9.763 1.00 3.01 H new ATOM 0 HH TYR A 80 -17.211 -13.944 -8.350 1.00 2.27 H new ATOM 1156 N ALA A 81 -16.117 -11.017 -15.606 1.00 1.63 N ATOM 1157 CA ALA A 81 -16.942 -11.979 -16.339 1.00 1.87 C ATOM 1158 C ALA A 81 -16.084 -13.147 -16.818 1.00 2.00 C ATOM 1159 O ALA A 81 -16.468 -14.301 -16.676 1.00 2.32 O ATOM 1160 CB ALA A 81 -17.678 -11.333 -17.513 1.00 2.16 C ATOM 0 H ALA A 81 -16.091 -10.078 -16.004 1.00 1.63 H new ATOM 0 HA ALA A 81 -17.703 -12.350 -15.653 1.00 1.87 H new ATOM 0 HB1 ALA A 81 -18.277 -12.086 -18.026 1.00 2.16 H new ATOM 0 HB2 ALA A 81 -18.330 -10.542 -17.143 1.00 2.16 H new ATOM 0 HB3 ALA A 81 -16.953 -10.910 -18.209 1.00 2.16 H new ATOM 1166 N THR A 82 -14.884 -12.857 -17.328 1.00 1.93 N ATOM 1167 CA THR A 82 -13.925 -13.900 -17.662 1.00 2.18 C ATOM 1168 C THR A 82 -12.975 -14.114 -16.476 1.00 2.07 C ATOM 1169 O THR A 82 -11.795 -14.385 -16.687 1.00 2.13 O ATOM 1170 CB THR A 82 -13.179 -13.535 -18.958 1.00 2.52 C ATOM 1171 OG1 THR A 82 -12.280 -12.464 -18.742 1.00 2.66 O ATOM 1172 CG2 THR A 82 -14.133 -13.143 -20.091 1.00 2.73 C ATOM 0 H THR A 82 -14.559 -11.909 -17.516 1.00 1.93 H new ATOM 0 HA THR A 82 -14.440 -14.843 -17.848 1.00 2.18 H new ATOM 0 HB THR A 82 -12.634 -14.431 -19.253 1.00 2.52 H new ATOM 0 HG1 THR A 82 -11.817 -12.252 -19.579 1.00 2.66 H new ATOM 0 HG21 THR A 82 -13.557 -12.895 -20.982 1.00 2.73 H new ATOM 0 HG22 THR A 82 -14.800 -13.977 -20.310 1.00 2.73 H new ATOM 0 HG23 THR A 82 -14.722 -12.278 -19.787 1.00 2.73 H new ATOM 1180 N ASN A 83 -13.465 -13.911 -15.246 1.00 2.22 N ATOM 1181 CA ASN A 83 -12.739 -14.053 -13.983 1.00 2.36 C ATOM 1182 C ASN A 83 -11.328 -13.456 -14.063 1.00 2.40 C ATOM 1183 O ASN A 83 -10.361 -14.042 -13.591 1.00 2.66 O ATOM 1184 CB ASN A 83 -12.760 -15.532 -13.561 1.00 2.53 C ATOM 1185 CG ASN A 83 -11.972 -15.826 -12.284 1.00 2.60 C ATOM 1186 OD1 ASN A 83 -11.139 -16.725 -12.269 1.00 3.24 O ATOM 1187 ND2 ASN A 83 -12.206 -15.083 -11.208 1.00 2.31 N ATOM 0 H ASN A 83 -14.434 -13.627 -15.101 1.00 2.22 H new ATOM 0 HA ASN A 83 -13.237 -13.475 -13.204 1.00 2.36 H new ATOM 0 HB2 ASN A 83 -13.795 -15.843 -13.417 1.00 2.53 H new ATOM 0 HB3 ASN A 83 -12.355 -16.137 -14.373 1.00 2.53 H new ATOM 0 HD21 ASN A 83 -11.688 -15.255 -10.347 1.00 2.31 H new ATOM 0 HD22 ASN A 83 -12.904 -14.340 -11.243 1.00 2.31 H new ATOM 1194 N GLN A 84 -11.182 -12.281 -14.683 1.00 2.27 N ATOM 1195 CA GLN A 84 -9.887 -11.682 -14.965 1.00 2.36 C ATOM 1196 C GLN A 84 -10.075 -10.170 -15.037 1.00 2.31 C ATOM 1197 O GLN A 84 -11.198 -9.665 -14.936 1.00 2.54 O ATOM 1198 CB GLN A 84 -9.334 -12.185 -16.318 1.00 2.38 C ATOM 1199 CG GLN A 84 -8.784 -13.624 -16.378 1.00 3.49 C ATOM 1200 CD GLN A 84 -7.261 -13.660 -16.446 1.00 4.40 C ATOM 1201 OE1 GLN A 84 -6.697 -13.617 -17.535 1.00 4.40 O ATOM 1202 NE2 GLN A 84 -6.565 -13.710 -15.315 1.00 5.81 N ATOM 0 H GLN A 84 -11.971 -11.719 -15.004 1.00 2.27 H new ATOM 0 HA GLN A 84 -9.181 -11.955 -14.181 1.00 2.36 H new ATOM 0 HB2 GLN A 84 -10.130 -12.099 -17.058 1.00 2.38 H new ATOM 0 HB3 GLN A 84 -8.537 -11.508 -16.627 1.00 2.38 H new ATOM 0 HG2 GLN A 84 -9.119 -14.175 -15.500 1.00 3.49 H new ATOM 0 HG3 GLN A 84 -9.196 -14.132 -17.250 1.00 3.49 H new ATOM 0 HE21 GLN A 84 -7.050 -13.745 -14.419 1.00 5.81 H new ATOM 0 HE22 GLN A 84 -5.545 -13.713 -15.343 1.00 5.81 H new ATOM 1211 N CYS A 85 -8.976 -9.454 -15.251 1.00 2.27 N ATOM 1212 CA CYS A 85 -9.002 -8.095 -15.776 1.00 2.10 C ATOM 1213 C CYS A 85 -9.677 -8.101 -17.148 1.00 2.34 C ATOM 1214 O CYS A 85 -9.871 -9.162 -17.753 1.00 3.27 O ATOM 1215 CB CYS A 85 -7.573 -7.567 -15.949 1.00 2.00 C ATOM 1216 SG CYS A 85 -6.598 -7.480 -14.440 1.00 2.75 S ATOM 0 H CYS A 85 -8.036 -9.804 -15.063 1.00 2.27 H new ATOM 0 HA CYS A 85 -9.548 -7.459 -15.079 1.00 2.10 H new ATOM 0 HB2 CYS A 85 -7.052 -8.205 -16.663 1.00 2.00 H new ATOM 0 HB3 CYS A 85 -7.622 -6.571 -16.388 1.00 2.00 H new ATOM 1221 N VAL A 86 -9.988 -6.926 -17.687 1.00 1.79 N ATOM 1222 CA VAL A 86 -10.387 -6.788 -19.078 1.00 1.73 C ATOM 1223 C VAL A 86 -9.143 -7.216 -19.866 1.00 2.23 C ATOM 1224 O VAL A 86 -8.024 -6.961 -19.423 1.00 2.55 O ATOM 1225 CB VAL A 86 -10.729 -5.319 -19.391 1.00 1.27 C ATOM 1226 CG1 VAL A 86 -10.604 -5.017 -20.888 1.00 1.56 C ATOM 1227 CG2 VAL A 86 -12.110 -4.887 -18.895 1.00 1.13 C ATOM 0 H VAL A 86 -9.970 -6.046 -17.171 1.00 1.79 H new ATOM 0 HA VAL A 86 -11.269 -7.380 -19.323 1.00 1.73 H new ATOM 0 HB VAL A 86 -9.992 -4.736 -18.838 1.00 1.27 H new ATOM 0 HG11 VAL A 86 -10.853 -3.972 -21.070 1.00 1.56 H new ATOM 0 HG12 VAL A 86 -9.582 -5.209 -21.214 1.00 1.56 H new ATOM 0 HG13 VAL A 86 -11.288 -5.656 -21.446 1.00 1.56 H new ATOM 0 HG21 VAL A 86 -12.278 -3.841 -19.152 1.00 1.13 H new ATOM 0 HG22 VAL A 86 -12.875 -5.504 -19.366 1.00 1.13 H new ATOM 0 HG23 VAL A 86 -12.162 -5.007 -17.813 1.00 1.13 H new ATOM 1295 N CYS A 91 -3.892 -3.502 -16.411 1.00 1.85 N ATOM 1296 CA CYS A 91 -4.546 -3.585 -15.112 1.00 1.59 C ATOM 1297 C CYS A 91 -3.545 -3.711 -13.977 1.00 1.31 C ATOM 1298 O CYS A 91 -3.734 -3.099 -12.928 1.00 2.03 O ATOM 1299 CB CYS A 91 -5.535 -4.746 -15.073 1.00 1.84 C ATOM 1300 SG CYS A 91 -4.890 -6.429 -15.013 1.00 2.78 S ATOM 0 HA CYS A 91 -5.091 -2.652 -14.971 1.00 1.59 H new ATOM 0 HB2 CYS A 91 -6.175 -4.606 -14.202 1.00 1.84 H new ATOM 0 HB3 CYS A 91 -6.173 -4.667 -15.954 1.00 1.84 H new ATOM 1305 N ARG A 92 -2.522 -4.549 -14.165 1.00 1.50 N ATOM 1306 CA ARG A 92 -1.296 -4.693 -13.392 1.00 1.07 C ATOM 1307 C ARG A 92 -1.410 -4.443 -11.886 1.00 1.41 C ATOM 1308 O ARG A 92 -1.263 -5.364 -11.090 1.00 2.68 O ATOM 1309 CB ARG A 92 -0.123 -3.944 -14.043 1.00 0.96 C ATOM 1310 CG ARG A 92 1.110 -4.849 -14.190 1.00 1.27 C ATOM 1311 CD ARG A 92 1.545 -5.480 -12.858 1.00 1.34 C ATOM 1312 NE ARG A 92 3.008 -5.584 -12.766 1.00 2.29 N ATOM 1313 CZ ARG A 92 3.731 -6.653 -12.400 1.00 2.98 C ATOM 1314 NH1 ARG A 92 3.207 -7.874 -12.413 1.00 3.39 N ATOM 1315 NH2 ARG A 92 4.988 -6.455 -12.008 1.00 4.12 N ATOM 0 H ARG A 92 -2.539 -5.208 -14.943 1.00 1.50 H new ATOM 0 HA ARG A 92 -1.078 -5.760 -13.434 1.00 1.07 H new ATOM 0 HB2 ARG A 92 -0.424 -3.576 -15.024 1.00 0.96 H new ATOM 0 HB3 ARG A 92 0.133 -3.073 -13.440 1.00 0.96 H new ATOM 0 HG2 ARG A 92 0.892 -5.640 -14.908 1.00 1.27 H new ATOM 0 HG3 ARG A 92 1.936 -4.267 -14.599 1.00 1.27 H new ATOM 0 HD2 ARG A 92 1.169 -4.880 -12.029 1.00 1.34 H new ATOM 0 HD3 ARG A 92 1.102 -6.471 -12.761 1.00 1.34 H new ATOM 0 HE ARG A 92 3.535 -4.745 -13.009 1.00 2.29 H new ATOM 0 HH11 ARG A 92 2.239 -8.011 -12.705 1.00 3.39 H new ATOM 0 HH12 ARG A 92 3.773 -8.675 -12.131 1.00 3.39 H new ATOM 0 HH21 ARG A 92 5.375 -5.511 -11.992 1.00 4.12 H new ATOM 0 HH22 ARG A 92 5.564 -7.247 -11.723 1.00 4.12 H new ATOM 1329 N HIS A 93 -1.598 -3.192 -11.474 1.00 0.79 N ATOM 1330 CA HIS A 93 -1.587 -2.816 -10.074 1.00 0.79 C ATOM 1331 C HIS A 93 -2.864 -3.286 -9.384 1.00 0.73 C ATOM 1332 O HIS A 93 -2.782 -3.818 -8.278 1.00 0.63 O ATOM 1333 CB HIS A 93 -1.427 -1.301 -9.922 1.00 0.83 C ATOM 1334 CG HIS A 93 -0.172 -0.762 -10.561 1.00 1.13 C ATOM 1335 ND1 HIS A 93 -0.089 -0.193 -11.819 1.00 2.12 N ATOM 1336 CD2 HIS A 93 1.071 -0.719 -9.990 1.00 0.90 C ATOM 1337 CE1 HIS A 93 1.176 0.216 -12.002 1.00 2.28 C ATOM 1338 NE2 HIS A 93 1.896 -0.107 -10.912 1.00 1.51 N ATOM 0 H HIS A 93 -1.763 -2.411 -12.109 1.00 0.79 H new ATOM 0 HA HIS A 93 -0.735 -3.302 -9.597 1.00 0.79 H new ATOM 0 HB2 HIS A 93 -2.292 -0.806 -10.364 1.00 0.83 H new ATOM 0 HB3 HIS A 93 -1.423 -1.049 -8.862 1.00 0.83 H new ATOM 0 HD2 HIS A 93 1.350 -1.089 -9.015 1.00 0.90 H new ATOM 0 HE1 HIS A 93 1.554 0.721 -12.879 1.00 2.28 H new ATOM 0 HE2 HIS A 93 2.892 0.072 -10.787 1.00 1.51 H new ATOM 1347 N TYR A 94 -4.038 -3.104 -9.999 1.00 0.78 N ATOM 1348 CA TYR A 94 -5.292 -3.411 -9.309 1.00 0.56 C ATOM 1349 C TYR A 94 -5.320 -4.876 -8.880 1.00 0.44 C ATOM 1350 O TYR A 94 -5.849 -5.185 -7.817 1.00 0.41 O ATOM 1351 CB TYR A 94 -6.537 -2.964 -10.095 1.00 0.44 C ATOM 1352 CG TYR A 94 -7.403 -4.048 -10.712 1.00 1.54 C ATOM 1353 CD1 TYR A 94 -8.131 -4.943 -9.903 1.00 1.50 C ATOM 1354 CD2 TYR A 94 -7.587 -4.084 -12.102 1.00 3.58 C ATOM 1355 CE1 TYR A 94 -8.861 -5.994 -10.485 1.00 2.48 C ATOM 1356 CE2 TYR A 94 -8.335 -5.118 -12.686 1.00 4.80 C ATOM 1357 CZ TYR A 94 -8.955 -6.084 -11.882 1.00 4.06 C ATOM 1358 OH TYR A 94 -9.677 -7.078 -12.466 1.00 5.29 O ATOM 0 H TYR A 94 -4.145 -2.754 -10.951 1.00 0.78 H new ATOM 0 HA TYR A 94 -5.330 -2.814 -8.398 1.00 0.56 H new ATOM 0 HB2 TYR A 94 -7.163 -2.373 -9.426 1.00 0.44 H new ATOM 0 HB3 TYR A 94 -6.209 -2.299 -10.894 1.00 0.44 H new ATOM 0 HD1 TYR A 94 -8.128 -4.821 -8.830 1.00 1.50 H new ATOM 0 HD2 TYR A 94 -7.153 -3.315 -12.724 1.00 3.58 H new ATOM 0 HE1 TYR A 94 -9.347 -6.728 -9.860 1.00 2.48 H new ATOM 0 HE2 TYR A 94 -8.433 -5.169 -13.760 1.00 4.80 H new ATOM 0 HH TYR A 94 -9.069 -7.708 -12.907 1.00 5.29 H new ATOM 1368 N THR A 95 -4.724 -5.768 -9.674 1.00 0.50 N ATOM 1369 CA THR A 95 -4.637 -7.180 -9.332 1.00 0.52 C ATOM 1370 C THR A 95 -4.131 -7.337 -7.894 1.00 0.52 C ATOM 1371 O THR A 95 -4.724 -8.063 -7.100 1.00 0.67 O ATOM 1372 CB THR A 95 -3.748 -7.938 -10.337 1.00 0.81 C ATOM 1373 OG1 THR A 95 -2.377 -7.686 -10.135 1.00 1.63 O ATOM 1374 CG2 THR A 95 -4.097 -7.631 -11.795 1.00 0.74 C ATOM 0 H THR A 95 -4.292 -5.529 -10.566 1.00 0.50 H new ATOM 0 HA THR A 95 -5.632 -7.621 -9.392 1.00 0.52 H new ATOM 0 HB THR A 95 -3.952 -8.992 -10.147 1.00 0.81 H new ATOM 0 HG1 THR A 95 -2.141 -6.823 -10.535 1.00 1.63 H new ATOM 0 HG21 THR A 95 -3.436 -8.195 -12.454 1.00 0.74 H new ATOM 0 HG22 THR A 95 -5.131 -7.915 -11.989 1.00 0.74 H new ATOM 0 HG23 THR A 95 -3.972 -6.564 -11.982 1.00 0.74 H new ATOM 1382 N GLN A 96 -3.072 -6.603 -7.539 1.00 0.50 N ATOM 1383 CA GLN A 96 -2.490 -6.643 -6.212 1.00 0.56 C ATOM 1384 C GLN A 96 -3.507 -6.130 -5.192 1.00 0.57 C ATOM 1385 O GLN A 96 -3.643 -6.683 -4.097 1.00 0.74 O ATOM 1386 CB GLN A 96 -1.197 -5.813 -6.186 1.00 0.65 C ATOM 1387 CG GLN A 96 -0.505 -5.812 -4.819 1.00 1.20 C ATOM 1388 CD GLN A 96 -0.148 -7.218 -4.355 1.00 1.05 C ATOM 1389 OE1 GLN A 96 0.936 -7.707 -4.645 1.00 1.80 O ATOM 1390 NE2 GLN A 96 -1.065 -7.887 -3.663 1.00 1.20 N ATOM 0 H GLN A 96 -2.598 -5.963 -8.176 1.00 0.50 H new ATOM 0 HA GLN A 96 -2.234 -7.669 -5.949 1.00 0.56 H new ATOM 0 HB2 GLN A 96 -0.507 -6.204 -6.934 1.00 0.65 H new ATOM 0 HB3 GLN A 96 -1.427 -4.786 -6.470 1.00 0.65 H new ATOM 0 HG2 GLN A 96 0.401 -5.208 -4.872 1.00 1.20 H new ATOM 0 HG3 GLN A 96 -1.158 -5.343 -4.083 1.00 1.20 H new ATOM 0 HE21 GLN A 96 -1.957 -7.446 -3.440 1.00 1.20 H new ATOM 0 HE22 GLN A 96 -0.876 -8.841 -3.355 1.00 1.20 H new ATOM 1399 N VAL A 97 -4.213 -5.058 -5.544 1.00 0.55 N ATOM 1400 CA VAL A 97 -5.171 -4.441 -4.650 1.00 0.65 C ATOM 1401 C VAL A 97 -6.318 -5.405 -4.350 1.00 0.80 C ATOM 1402 O VAL A 97 -6.739 -5.478 -3.201 1.00 1.03 O ATOM 1403 CB VAL A 97 -5.645 -3.074 -5.167 1.00 0.59 C ATOM 1404 CG1 VAL A 97 -6.481 -2.380 -4.085 1.00 0.64 C ATOM 1405 CG2 VAL A 97 -4.443 -2.176 -5.471 1.00 0.66 C ATOM 0 H VAL A 97 -4.133 -4.600 -6.452 1.00 0.55 H new ATOM 0 HA VAL A 97 -4.674 -4.232 -3.703 1.00 0.65 H new ATOM 0 HB VAL A 97 -6.233 -3.234 -6.071 1.00 0.59 H new ATOM 0 HG11 VAL A 97 -6.817 -1.410 -4.451 1.00 0.64 H new ATOM 0 HG12 VAL A 97 -7.347 -2.997 -3.843 1.00 0.64 H new ATOM 0 HG13 VAL A 97 -5.874 -2.239 -3.191 1.00 0.64 H new ATOM 0 HG21 VAL A 97 -4.793 -1.211 -5.836 1.00 0.66 H new ATOM 0 HG22 VAL A 97 -3.859 -2.030 -4.562 1.00 0.66 H new ATOM 0 HG23 VAL A 97 -3.820 -2.647 -6.231 1.00 0.66 H new ATOM 1415 N VAL A 98 -6.776 -6.176 -5.337 1.00 0.67 N ATOM 1416 CA VAL A 98 -7.804 -7.208 -5.208 1.00 0.66 C ATOM 1417 C VAL A 98 -7.284 -8.569 -4.728 1.00 0.70 C ATOM 1418 O VAL A 98 -8.075 -9.453 -4.426 1.00 0.87 O ATOM 1419 CB VAL A 98 -8.647 -7.255 -6.507 1.00 0.63 C ATOM 1420 CG1 VAL A 98 -8.491 -8.540 -7.328 1.00 0.60 C ATOM 1421 CG2 VAL A 98 -10.128 -7.114 -6.164 1.00 0.70 C ATOM 0 H VAL A 98 -6.424 -6.094 -6.291 1.00 0.67 H new ATOM 0 HA VAL A 98 -8.467 -6.926 -4.390 1.00 0.66 H new ATOM 0 HB VAL A 98 -8.274 -6.431 -7.115 1.00 0.63 H new ATOM 0 HG11 VAL A 98 -9.118 -8.482 -8.218 1.00 0.60 H new ATOM 0 HG12 VAL A 98 -7.449 -8.657 -7.626 1.00 0.60 H new ATOM 0 HG13 VAL A 98 -8.795 -9.396 -6.725 1.00 0.60 H new ATOM 0 HG21 VAL A 98 -10.718 -7.147 -7.080 1.00 0.70 H new ATOM 0 HG22 VAL A 98 -10.429 -7.931 -5.508 1.00 0.70 H new ATOM 0 HG23 VAL A 98 -10.296 -6.163 -5.659 1.00 0.70 H new ATOM 1431 N TRP A 99 -5.969 -8.756 -4.633 1.00 0.72 N ATOM 1432 CA TRP A 99 -5.361 -10.079 -4.565 1.00 0.80 C ATOM 1433 C TRP A 99 -5.902 -10.912 -3.396 1.00 0.90 C ATOM 1434 O TRP A 99 -5.653 -10.573 -2.238 1.00 1.15 O ATOM 1435 CB TRP A 99 -3.835 -9.925 -4.499 1.00 0.84 C ATOM 1436 CG TRP A 99 -3.030 -11.113 -4.917 1.00 0.89 C ATOM 1437 CD1 TRP A 99 -2.624 -12.096 -4.096 1.00 1.09 C ATOM 1438 CD2 TRP A 99 -2.512 -11.465 -6.231 1.00 0.86 C ATOM 1439 NE1 TRP A 99 -1.891 -13.033 -4.794 1.00 1.13 N ATOM 1440 CE2 TRP A 99 -1.824 -12.710 -6.132 1.00 1.01 C ATOM 1441 CE3 TRP A 99 -2.535 -10.850 -7.499 1.00 0.85 C ATOM 1442 CZ2 TRP A 99 -1.220 -13.317 -7.240 1.00 1.08 C ATOM 1443 CZ3 TRP A 99 -2.028 -11.505 -8.635 1.00 0.96 C ATOM 1444 CH2 TRP A 99 -1.360 -12.732 -8.507 1.00 1.05 C ATOM 0 H TRP A 99 -5.295 -7.991 -4.601 1.00 0.72 H new ATOM 0 HA TRP A 99 -5.627 -10.631 -5.466 1.00 0.80 H new ATOM 0 HB2 TRP A 99 -3.549 -9.080 -5.126 1.00 0.84 H new ATOM 0 HB3 TRP A 99 -3.561 -9.669 -3.475 1.00 0.84 H new ATOM 0 HD1 TRP A 99 -2.841 -12.145 -3.039 1.00 1.09 H new ATOM 0 HE1 TRP A 99 -1.456 -13.855 -4.376 1.00 1.13 H new ATOM 0 HE3 TRP A 99 -2.950 -9.858 -7.600 1.00 0.85 H new ATOM 0 HZ2 TRP A 99 -0.652 -14.227 -7.120 1.00 1.08 H new ATOM 0 HZ3 TRP A 99 -2.153 -11.061 -9.612 1.00 0.96 H new ATOM 0 HH2 TRP A 99 -0.956 -13.224 -9.380 1.00 1.05 H new ATOM 1455 N ARG A 100 -6.623 -11.988 -3.701 1.00 0.79 N ATOM 1456 CA ARG A 100 -7.079 -13.017 -2.782 1.00 0.74 C ATOM 1457 C ARG A 100 -5.875 -13.542 -2.007 1.00 0.69 C ATOM 1458 O ARG A 100 -5.852 -13.560 -0.778 1.00 0.82 O ATOM 1459 CB ARG A 100 -7.738 -14.148 -3.606 1.00 0.76 C ATOM 1460 CG ARG A 100 -8.266 -15.345 -2.790 1.00 0.98 C ATOM 1461 CD ARG A 100 -9.649 -15.047 -2.201 1.00 1.99 C ATOM 1462 NE ARG A 100 -10.191 -16.178 -1.433 1.00 2.92 N ATOM 1463 CZ ARG A 100 -11.491 -16.491 -1.296 1.00 3.93 C ATOM 1464 NH1 ARG A 100 -12.434 -15.873 -2.007 1.00 4.57 N ATOM 1465 NH2 ARG A 100 -11.808 -17.450 -0.433 1.00 5.21 N ATOM 0 H ARG A 100 -6.921 -12.172 -4.659 1.00 0.79 H new ATOM 0 HA ARG A 100 -7.808 -12.622 -2.075 1.00 0.74 H new ATOM 0 HB2 ARG A 100 -8.566 -13.724 -4.174 1.00 0.76 H new ATOM 0 HB3 ARG A 100 -7.011 -14.517 -4.330 1.00 0.76 H new ATOM 0 HG2 ARG A 100 -8.322 -16.227 -3.428 1.00 0.98 H new ATOM 0 HG3 ARG A 100 -7.568 -15.577 -1.986 1.00 0.98 H new ATOM 0 HD2 ARG A 100 -9.584 -14.172 -1.555 1.00 1.99 H new ATOM 0 HD3 ARG A 100 -10.338 -14.797 -3.008 1.00 1.99 H new ATOM 0 HE ARG A 100 -9.518 -16.781 -0.960 1.00 2.92 H new ATOM 0 HH11 ARG A 100 -12.176 -15.145 -2.673 1.00 4.57 H new ATOM 0 HH12 ARG A 100 -13.414 -16.128 -1.885 1.00 4.57 H new ATOM 0 HH21 ARG A 100 -11.075 -17.921 0.098 1.00 5.21 H new ATOM 0 HH22 ARG A 100 -12.784 -17.715 -0.301 1.00 5.21 H new ATOM 1479 N ASN A 101 -4.865 -14.016 -2.734 1.00 0.61 N ATOM 1480 CA ASN A 101 -3.855 -14.899 -2.163 1.00 0.51 C ATOM 1481 C ASN A 101 -2.719 -14.137 -1.477 1.00 0.63 C ATOM 1482 O ASN A 101 -1.561 -14.524 -1.584 1.00 1.67 O ATOM 1483 CB ASN A 101 -3.382 -15.918 -3.205 1.00 0.85 C ATOM 1484 CG ASN A 101 -4.367 -17.072 -3.311 1.00 2.13 C ATOM 1485 OD1 ASN A 101 -4.378 -17.964 -2.463 1.00 2.40 O ATOM 1486 ND2 ASN A 101 -5.220 -17.060 -4.326 1.00 4.04 N ATOM 0 H ASN A 101 -4.726 -13.802 -3.721 1.00 0.61 H new ATOM 0 HA ASN A 101 -4.319 -15.467 -1.356 1.00 0.51 H new ATOM 0 HB2 ASN A 101 -3.277 -15.432 -4.175 1.00 0.85 H new ATOM 0 HB3 ASN A 101 -2.398 -16.297 -2.930 1.00 0.85 H new ATOM 0 HD21 ASN A 101 -5.911 -17.804 -4.420 1.00 4.04 H new ATOM 0 HD22 ASN A 101 -5.185 -16.306 -5.012 1.00 4.04 H new ATOM 1493 N SER A 102 -3.047 -13.081 -0.737 1.00 0.73 N ATOM 1494 CA SER A 102 -2.131 -12.341 0.111 1.00 0.71 C ATOM 1495 C SER A 102 -2.989 -11.746 1.221 1.00 0.76 C ATOM 1496 O SER A 102 -3.743 -10.818 0.951 1.00 1.17 O ATOM 1497 CB SER A 102 -1.436 -11.212 -0.664 1.00 0.86 C ATOM 1498 OG SER A 102 -0.773 -11.666 -1.829 1.00 1.94 O ATOM 0 H SER A 102 -3.996 -12.707 -0.714 1.00 0.73 H new ATOM 0 HA SER A 102 -1.345 -12.993 0.493 1.00 0.71 H new ATOM 0 HB2 SER A 102 -2.176 -10.462 -0.943 1.00 0.86 H new ATOM 0 HB3 SER A 102 -0.715 -10.721 -0.011 1.00 0.86 H new ATOM 0 HG SER A 102 -1.306 -11.437 -2.619 1.00 1.94 H new ATOM 1504 N VAL A 103 -2.915 -12.285 2.435 1.00 0.65 N ATOM 1505 CA VAL A 103 -3.714 -11.795 3.557 1.00 0.64 C ATOM 1506 C VAL A 103 -2.940 -10.769 4.379 1.00 0.60 C ATOM 1507 O VAL A 103 -3.523 -9.985 5.123 1.00 0.90 O ATOM 1508 CB VAL A 103 -4.220 -12.963 4.418 1.00 0.88 C ATOM 1509 CG1 VAL A 103 -5.253 -13.774 3.630 1.00 1.03 C ATOM 1510 CG2 VAL A 103 -3.093 -13.884 4.906 1.00 1.01 C ATOM 0 H VAL A 103 -2.305 -13.068 2.669 1.00 0.65 H new ATOM 0 HA VAL A 103 -4.590 -11.284 3.156 1.00 0.64 H new ATOM 0 HB VAL A 103 -4.677 -12.529 5.307 1.00 0.88 H new ATOM 0 HG11 VAL A 103 -5.610 -14.602 4.243 1.00 1.03 H new ATOM 0 HG12 VAL A 103 -6.092 -13.132 3.362 1.00 1.03 H new ATOM 0 HG13 VAL A 103 -4.793 -14.166 2.723 1.00 1.03 H new ATOM 0 HG21 VAL A 103 -3.515 -14.688 5.508 1.00 1.01 H new ATOM 0 HG22 VAL A 103 -2.572 -14.308 4.047 1.00 1.01 H new ATOM 0 HG23 VAL A 103 -2.390 -13.310 5.509 1.00 1.01 H new ATOM 1520 N ARG A 104 -1.621 -10.770 4.233 1.00 0.68 N ATOM 1521 CA ARG A 104 -0.732 -9.859 4.922 1.00 0.68 C ATOM 1522 C ARG A 104 -0.628 -8.598 4.071 1.00 0.60 C ATOM 1523 O ARG A 104 -0.303 -8.708 2.887 1.00 0.79 O ATOM 1524 CB ARG A 104 0.642 -10.528 5.059 1.00 0.71 C ATOM 1525 CG ARG A 104 0.534 -11.944 5.646 1.00 0.96 C ATOM 1526 CD ARG A 104 1.887 -12.628 5.858 1.00 2.00 C ATOM 1527 NE ARG A 104 2.733 -11.932 6.836 1.00 2.50 N ATOM 1528 CZ ARG A 104 4.003 -12.262 7.113 1.00 3.50 C ATOM 1529 NH1 ARG A 104 4.540 -13.358 6.577 1.00 4.29 N ATOM 1530 NH2 ARG A 104 4.693 -11.487 7.944 1.00 4.65 N ATOM 0 H ARG A 104 -1.134 -11.421 3.617 1.00 0.68 H new ATOM 0 HA ARG A 104 -1.100 -9.608 5.917 1.00 0.68 H new ATOM 0 HB2 ARG A 104 1.122 -10.576 4.081 1.00 0.71 H new ATOM 0 HB3 ARG A 104 1.281 -9.918 5.698 1.00 0.71 H new ATOM 0 HG2 ARG A 104 0.009 -11.893 6.600 1.00 0.96 H new ATOM 0 HG3 ARG A 104 -0.073 -12.558 4.981 1.00 0.96 H new ATOM 0 HD2 ARG A 104 1.722 -13.652 6.192 1.00 2.00 H new ATOM 0 HD3 ARG A 104 2.413 -12.684 4.905 1.00 2.00 H new ATOM 0 HE ARG A 104 2.327 -11.143 7.339 1.00 2.50 H new ATOM 0 HH11 ARG A 104 3.985 -13.946 5.956 1.00 4.29 H new ATOM 0 HH12 ARG A 104 5.506 -13.608 6.788 1.00 4.29 H new ATOM 0 HH21 ARG A 104 4.255 -10.663 8.355 1.00 4.65 H new ATOM 0 HH22 ARG A 104 5.661 -11.717 8.171 1.00 4.65 H new ATOM 1544 N LEU A 105 -0.884 -7.425 4.652 1.00 0.50 N ATOM 1545 CA LEU A 105 -0.665 -6.133 4.017 1.00 0.46 C ATOM 1546 C LEU A 105 0.158 -5.272 4.963 1.00 0.46 C ATOM 1547 O LEU A 105 -0.137 -5.226 6.151 1.00 0.70 O ATOM 1548 CB LEU A 105 -2.028 -5.456 3.806 1.00 0.65 C ATOM 1549 CG LEU A 105 -2.080 -4.421 2.676 1.00 0.69 C ATOM 1550 CD1 LEU A 105 -3.334 -3.554 2.816 1.00 2.17 C ATOM 1551 CD2 LEU A 105 -0.894 -3.467 2.529 1.00 1.86 C ATOM 0 H LEU A 105 -1.258 -7.350 5.598 1.00 0.50 H new ATOM 0 HA LEU A 105 -0.151 -6.257 3.064 1.00 0.46 H new ATOM 0 HB2 LEU A 105 -2.771 -6.228 3.603 1.00 0.65 H new ATOM 0 HB3 LEU A 105 -2.320 -4.969 4.736 1.00 0.65 H new ATOM 0 HG LEU A 105 -2.068 -5.048 1.785 1.00 0.69 H new ATOM 0 HD11 LEU A 105 -3.362 -2.822 2.009 1.00 2.17 H new ATOM 0 HD12 LEU A 105 -4.221 -4.186 2.764 1.00 2.17 H new ATOM 0 HD13 LEU A 105 -3.313 -3.036 3.775 1.00 2.17 H new ATOM 0 HD21 LEU A 105 -1.071 -2.794 1.690 1.00 1.86 H new ATOM 0 HD22 LEU A 105 -0.779 -2.885 3.444 1.00 1.86 H new ATOM 0 HD23 LEU A 105 0.015 -4.041 2.348 1.00 1.86 H new ATOM 1563 N GLY A 106 1.147 -4.546 4.464 1.00 0.42 N ATOM 1564 CA GLY A 106 1.776 -3.485 5.234 1.00 0.46 C ATOM 1565 C GLY A 106 2.270 -2.423 4.269 1.00 0.50 C ATOM 1566 O GLY A 106 2.513 -2.742 3.109 1.00 0.93 O ATOM 0 H GLY A 106 1.531 -4.673 3.528 1.00 0.42 H new ATOM 0 HA2 GLY A 106 1.065 -3.055 5.940 1.00 0.46 H new ATOM 0 HA3 GLY A 106 2.606 -3.881 5.819 1.00 0.46 H new ATOM 1570 N CYS A 107 2.388 -1.168 4.703 1.00 0.43 N ATOM 1571 CA CYS A 107 2.805 -0.078 3.828 1.00 0.42 C ATOM 1572 C CYS A 107 3.724 0.860 4.587 1.00 0.45 C ATOM 1573 O CYS A 107 3.826 0.766 5.810 1.00 0.58 O ATOM 1574 CB CYS A 107 1.594 0.706 3.308 1.00 0.54 C ATOM 1575 SG CYS A 107 0.256 -0.235 2.543 1.00 1.03 S ATOM 0 H CYS A 107 2.198 -0.882 5.664 1.00 0.43 H new ATOM 0 HA CYS A 107 3.331 -0.507 2.975 1.00 0.42 H new ATOM 0 HB2 CYS A 107 1.175 1.269 4.142 1.00 0.54 H new ATOM 0 HB3 CYS A 107 1.952 1.434 2.580 1.00 0.54 H new ATOM 1580 N GLY A 108 4.388 1.760 3.866 1.00 0.47 N ATOM 1581 CA GLY A 108 5.343 2.693 4.423 1.00 0.55 C ATOM 1582 C GLY A 108 5.466 3.889 3.494 1.00 0.74 C ATOM 1583 O GLY A 108 5.405 3.726 2.276 1.00 1.66 O ATOM 0 H GLY A 108 4.269 1.857 2.858 1.00 0.47 H new ATOM 0 HA2 GLY A 108 5.020 3.017 5.412 1.00 0.55 H new ATOM 0 HA3 GLY A 108 6.313 2.211 4.546 1.00 0.55 H new ATOM 1587 N ARG A 109 5.602 5.084 4.066 1.00 0.59 N ATOM 1588 CA ARG A 109 5.528 6.354 3.366 1.00 0.54 C ATOM 1589 C ARG A 109 6.779 7.168 3.706 1.00 0.63 C ATOM 1590 O ARG A 109 6.806 7.819 4.749 1.00 1.28 O ATOM 1591 CB ARG A 109 4.215 7.030 3.792 1.00 0.75 C ATOM 1592 CG ARG A 109 4.073 8.483 3.323 1.00 0.68 C ATOM 1593 CD ARG A 109 2.739 9.065 3.822 1.00 1.03 C ATOM 1594 NE ARG A 109 2.901 10.388 4.448 1.00 1.64 N ATOM 1595 CZ ARG A 109 3.561 10.633 5.590 1.00 2.80 C ATOM 1596 NH1 ARG A 109 4.197 9.632 6.197 1.00 3.49 N ATOM 1597 NH2 ARG A 109 3.603 11.857 6.102 1.00 3.96 N ATOM 0 H ARG A 109 5.773 5.192 5.066 1.00 0.59 H new ATOM 0 HA ARG A 109 5.513 6.247 2.281 1.00 0.54 H new ATOM 0 HB2 ARG A 109 3.378 6.451 3.401 1.00 0.75 H new ATOM 0 HB3 ARG A 109 4.142 7.002 4.879 1.00 0.75 H new ATOM 0 HG2 ARG A 109 4.904 9.079 3.700 1.00 0.68 H new ATOM 0 HG3 ARG A 109 4.116 8.529 2.235 1.00 0.68 H new ATOM 0 HD2 ARG A 109 2.045 9.145 2.985 1.00 1.03 H new ATOM 0 HD3 ARG A 109 2.293 8.378 4.541 1.00 1.03 H new ATOM 0 HE ARG A 109 2.476 11.185 3.974 1.00 1.64 H new ATOM 0 HH11 ARG A 109 4.178 8.696 5.793 1.00 3.49 H new ATOM 0 HH12 ARG A 109 4.703 9.802 7.066 1.00 3.49 H new ATOM 0 HH21 ARG A 109 3.130 12.625 5.626 1.00 3.96 H new ATOM 0 HH22 ARG A 109 4.108 12.029 6.971 1.00 3.96 H new ATOM 1611 N ALA A 110 7.803 7.135 2.844 1.00 0.45 N ATOM 1612 CA ALA A 110 9.032 7.912 3.023 1.00 0.49 C ATOM 1613 C ALA A 110 9.009 9.132 2.103 1.00 0.46 C ATOM 1614 O ALA A 110 8.788 8.993 0.898 1.00 0.70 O ATOM 1615 CB ALA A 110 10.272 7.058 2.729 1.00 0.58 C ATOM 0 H ALA A 110 7.800 6.565 1.998 1.00 0.45 H new ATOM 0 HA ALA A 110 9.084 8.239 4.061 1.00 0.49 H new ATOM 0 HB1 ALA A 110 11.170 7.660 2.870 1.00 0.58 H new ATOM 0 HB2 ALA A 110 10.296 6.206 3.408 1.00 0.58 H new ATOM 0 HB3 ALA A 110 10.232 6.701 1.700 1.00 0.58 H new ATOM 1621 N ARG A 111 9.237 10.325 2.642 1.00 0.49 N ATOM 1622 CA ARG A 111 9.333 11.549 1.864 1.00 0.56 C ATOM 1623 C ARG A 111 10.756 11.682 1.329 1.00 0.71 C ATOM 1624 O ARG A 111 11.701 11.761 2.117 1.00 1.06 O ATOM 1625 CB ARG A 111 8.976 12.757 2.730 1.00 0.78 C ATOM 1626 CG ARG A 111 8.334 13.860 1.888 1.00 1.15 C ATOM 1627 CD ARG A 111 9.313 14.655 1.014 1.00 1.68 C ATOM 1628 NE ARG A 111 10.307 15.383 1.808 1.00 2.06 N ATOM 1629 CZ ARG A 111 10.033 16.413 2.612 1.00 2.59 C ATOM 1630 NH1 ARG A 111 8.804 16.934 2.656 1.00 2.78 N ATOM 1631 NH2 ARG A 111 11.012 16.897 3.364 1.00 3.96 N ATOM 0 H ARG A 111 9.361 10.468 3.644 1.00 0.49 H new ATOM 0 HA ARG A 111 8.631 11.510 1.031 1.00 0.56 H new ATOM 0 HB2 ARG A 111 8.291 12.453 3.521 1.00 0.78 H new ATOM 0 HB3 ARG A 111 9.874 13.140 3.215 1.00 0.78 H new ATOM 0 HG2 ARG A 111 7.576 13.412 1.245 1.00 1.15 H new ATOM 0 HG3 ARG A 111 7.819 14.552 2.554 1.00 1.15 H new ATOM 0 HD2 ARG A 111 9.824 13.974 0.334 1.00 1.68 H new ATOM 0 HD3 ARG A 111 8.755 15.361 0.399 1.00 1.68 H new ATOM 0 HE ARG A 111 11.279 15.081 1.741 1.00 2.06 H new ATOM 0 HH11 ARG A 111 8.064 16.545 2.072 1.00 2.78 H new ATOM 0 HH12 ARG A 111 8.605 17.721 3.274 1.00 2.78 H new ATOM 0 HH21 ARG A 111 11.943 16.483 3.318 1.00 3.96 H new ATOM 0 HH22 ARG A 111 10.834 17.684 3.989 1.00 3.96 H new ATOM 1645 N CYS A 112 10.901 11.698 0.009 1.00 0.80 N ATOM 1646 CA CYS A 112 12.159 11.698 -0.719 1.00 0.91 C ATOM 1647 C CYS A 112 12.190 12.843 -1.717 1.00 1.01 C ATOM 1648 O CYS A 112 11.255 13.635 -1.817 1.00 1.29 O ATOM 1649 CB CYS A 112 12.335 10.390 -1.493 1.00 1.49 C ATOM 1650 SG CYS A 112 11.995 8.839 -0.625 1.00 2.51 S ATOM 0 H CYS A 112 10.095 11.712 -0.616 1.00 0.80 H new ATOM 0 HA CYS A 112 12.962 11.809 0.009 1.00 0.91 H new ATOM 0 HB2 CYS A 112 11.689 10.431 -2.370 1.00 1.49 H new ATOM 0 HB3 CYS A 112 13.362 10.352 -1.856 1.00 1.49 H new ATOM 1690 N TRP A 116 9.231 12.069 -3.975 1.00 2.15 N ATOM 1691 CA TRP A 116 8.332 13.036 -3.376 1.00 1.02 C ATOM 1692 C TRP A 116 7.651 12.517 -2.107 1.00 0.67 C ATOM 1693 O TRP A 116 8.119 12.807 -1.014 1.00 1.26 O ATOM 1694 CB TRP A 116 7.370 13.528 -4.443 1.00 0.91 C ATOM 1695 CG TRP A 116 7.833 14.712 -5.229 1.00 1.15 C ATOM 1696 CD1 TRP A 116 8.249 15.892 -4.717 1.00 1.74 C ATOM 1697 CD2 TRP A 116 7.940 14.843 -6.674 1.00 1.30 C ATOM 1698 NE1 TRP A 116 8.584 16.748 -5.744 1.00 2.08 N ATOM 1699 CE2 TRP A 116 8.423 16.148 -6.975 1.00 1.79 C ATOM 1700 CE3 TRP A 116 7.675 13.986 -7.760 1.00 1.54 C ATOM 1701 CZ2 TRP A 116 8.638 16.578 -8.289 1.00 2.11 C ATOM 1702 CZ3 TRP A 116 7.892 14.403 -9.085 1.00 1.95 C ATOM 1703 CH2 TRP A 116 8.397 15.687 -9.348 1.00 2.09 C ATOM 0 HA TRP A 116 8.906 13.890 -3.017 1.00 1.02 H new ATOM 0 HB2 TRP A 116 7.172 12.709 -5.135 1.00 0.91 H new ATOM 0 HB3 TRP A 116 6.422 13.778 -3.966 1.00 0.91 H new ATOM 0 HD1 TRP A 116 8.310 16.128 -3.665 1.00 1.74 H new ATOM 0 HE1 TRP A 116 8.910 17.705 -5.610 1.00 2.08 H new ATOM 0 HE3 TRP A 116 7.299 12.991 -7.572 1.00 1.54 H new ATOM 0 HZ2 TRP A 116 8.985 17.582 -8.486 1.00 2.11 H new ATOM 0 HZ3 TRP A 116 7.670 13.734 -9.903 1.00 1.95 H new ATOM 0 HH2 TRP A 116 8.600 15.989 -10.365 1.00 2.09 H new ATOM 1714 N TRP A 117 6.571 11.748 -2.234 1.00 0.87 N ATOM 1715 CA TRP A 117 5.973 11.000 -1.139 1.00 0.71 C ATOM 1716 C TRP A 117 5.916 9.558 -1.599 1.00 0.78 C ATOM 1717 O TRP A 117 4.990 9.160 -2.300 1.00 1.21 O ATOM 1718 CB TRP A 117 4.597 11.552 -0.755 1.00 0.83 C ATOM 1719 CG TRP A 117 4.663 12.681 0.223 1.00 0.93 C ATOM 1720 CD1 TRP A 117 4.419 13.977 -0.050 1.00 1.19 C ATOM 1721 CD2 TRP A 117 5.054 12.640 1.627 1.00 0.92 C ATOM 1722 NE1 TRP A 117 4.641 14.745 1.075 1.00 1.29 N ATOM 1723 CE2 TRP A 117 5.008 13.966 2.150 1.00 1.14 C ATOM 1724 CE3 TRP A 117 5.489 11.623 2.500 1.00 0.86 C ATOM 1725 CZ2 TRP A 117 5.337 14.258 3.480 1.00 1.26 C ATOM 1726 CZ3 TRP A 117 5.829 11.906 3.835 1.00 1.02 C ATOM 1727 CH2 TRP A 117 5.759 13.222 4.325 1.00 1.19 C ATOM 0 H TRP A 117 6.080 11.628 -3.120 1.00 0.87 H new ATOM 0 HA TRP A 117 6.566 11.087 -0.229 1.00 0.71 H new ATOM 0 HB2 TRP A 117 4.085 11.891 -1.656 1.00 0.83 H new ATOM 0 HB3 TRP A 117 3.996 10.748 -0.330 1.00 0.83 H new ATOM 0 HD1 TRP A 117 4.097 14.359 -1.008 1.00 1.19 H new ATOM 0 HE1 TRP A 117 4.545 15.760 1.106 1.00 1.29 H new ATOM 0 HE3 TRP A 117 5.563 10.608 2.138 1.00 0.86 H new ATOM 0 HZ2 TRP A 117 5.266 15.270 3.850 1.00 1.26 H new ATOM 0 HZ3 TRP A 117 6.146 11.107 4.488 1.00 1.02 H new ATOM 0 HH2 TRP A 117 6.029 13.434 5.349 1.00 1.19 H new ATOM 1738 N PHE A 118 6.943 8.797 -1.226 1.00 0.56 N ATOM 1739 CA PHE A 118 7.117 7.428 -1.676 1.00 0.56 C ATOM 1740 C PHE A 118 6.279 6.561 -0.769 1.00 0.50 C ATOM 1741 O PHE A 118 6.748 6.136 0.288 1.00 0.97 O ATOM 1742 CB PHE A 118 8.590 6.998 -1.643 1.00 0.64 C ATOM 1743 CG PHE A 118 8.933 5.714 -2.378 1.00 0.75 C ATOM 1744 CD1 PHE A 118 8.891 4.496 -1.674 1.00 2.32 C ATOM 1745 CD2 PHE A 118 9.616 5.777 -3.607 1.00 1.64 C ATOM 1746 CE1 PHE A 118 9.610 3.382 -2.140 1.00 2.51 C ATOM 1747 CE2 PHE A 118 10.398 4.689 -4.028 1.00 1.76 C ATOM 1748 CZ PHE A 118 10.381 3.486 -3.310 1.00 1.39 C ATOM 0 H PHE A 118 7.680 9.120 -0.599 1.00 0.56 H new ATOM 0 HA PHE A 118 6.800 7.330 -2.714 1.00 0.56 H new ATOM 0 HB2 PHE A 118 9.191 7.804 -2.064 1.00 0.64 H new ATOM 0 HB3 PHE A 118 8.891 6.887 -0.601 1.00 0.64 H new ATOM 0 HD1 PHE A 118 8.303 4.417 -0.771 1.00 2.32 H new ATOM 0 HD2 PHE A 118 9.539 6.660 -4.225 1.00 1.64 H new ATOM 0 HE1 PHE A 118 9.570 2.448 -1.600 1.00 2.51 H new ATOM 0 HE2 PHE A 118 11.015 4.780 -4.909 1.00 1.76 H new ATOM 0 HZ PHE A 118 10.959 2.641 -3.655 1.00 1.39 H new ATOM 1758 N ILE A 119 5.040 6.333 -1.177 1.00 0.49 N ATOM 1759 CA ILE A 119 4.196 5.345 -0.549 1.00 0.55 C ATOM 1760 C ILE A 119 4.577 4.024 -1.200 1.00 0.56 C ATOM 1761 O ILE A 119 4.670 3.928 -2.423 1.00 0.54 O ATOM 1762 CB ILE A 119 2.717 5.727 -0.721 1.00 0.60 C ATOM 1763 CG1 ILE A 119 2.327 6.741 0.364 1.00 0.64 C ATOM 1764 CG2 ILE A 119 1.804 4.497 -0.666 1.00 0.71 C ATOM 1765 CD1 ILE A 119 1.440 7.849 -0.210 1.00 1.02 C ATOM 0 H ILE A 119 4.598 6.829 -1.951 1.00 0.49 H new ATOM 0 HA ILE A 119 4.336 5.273 0.530 1.00 0.55 H new ATOM 0 HB ILE A 119 2.587 6.177 -1.705 1.00 0.60 H new ATOM 0 HG12 ILE A 119 1.801 6.231 1.171 1.00 0.64 H new ATOM 0 HG13 ILE A 119 3.226 7.179 0.797 1.00 0.64 H new ATOM 0 HG21 ILE A 119 0.767 4.808 -0.791 1.00 0.71 H new ATOM 0 HG22 ILE A 119 2.075 3.807 -1.465 1.00 0.71 H new ATOM 0 HG23 ILE A 119 1.920 4.001 0.297 1.00 0.71 H new ATOM 0 HD11 ILE A 119 1.179 8.553 0.581 1.00 1.02 H new ATOM 0 HD12 ILE A 119 1.978 8.373 -1.000 1.00 1.02 H new ATOM 0 HD13 ILE A 119 0.530 7.411 -0.620 1.00 1.02 H new ATOM 1777 N SER A 120 4.840 3.024 -0.372 1.00 0.70 N ATOM 1778 CA SER A 120 5.117 1.664 -0.765 1.00 0.65 C ATOM 1779 C SER A 120 4.117 0.802 -0.017 1.00 0.61 C ATOM 1780 O SER A 120 3.867 1.076 1.156 1.00 0.61 O ATOM 1781 CB SER A 120 6.568 1.326 -0.401 1.00 0.71 C ATOM 1782 OG SER A 120 6.905 1.714 0.921 1.00 2.03 O ATOM 0 H SER A 120 4.866 3.153 0.640 1.00 0.70 H new ATOM 0 HA SER A 120 5.015 1.499 -1.838 1.00 0.65 H new ATOM 0 HB2 SER A 120 6.726 0.253 -0.512 1.00 0.71 H new ATOM 0 HB3 SER A 120 7.239 1.821 -1.103 1.00 0.71 H new ATOM 0 HG SER A 120 6.288 2.412 1.224 1.00 2.03 H new ATOM 1788 N CYS A 121 3.532 -0.198 -0.671 1.00 0.71 N ATOM 1789 CA CYS A 121 2.758 -1.221 0.017 1.00 0.69 C ATOM 1790 C CYS A 121 3.329 -2.560 -0.402 1.00 0.60 C ATOM 1791 O CYS A 121 3.696 -2.735 -1.565 1.00 0.74 O ATOM 1792 CB CYS A 121 1.263 -1.138 -0.279 1.00 0.84 C ATOM 1793 SG CYS A 121 0.331 0.198 0.502 1.00 1.79 S ATOM 0 H CYS A 121 3.581 -0.320 -1.683 1.00 0.71 H new ATOM 0 HA CYS A 121 2.839 -1.076 1.094 1.00 0.69 H new ATOM 0 HB2 CYS A 121 1.138 -1.049 -1.358 1.00 0.84 H new ATOM 0 HB3 CYS A 121 0.808 -2.083 0.018 1.00 0.84 H new ATOM 1798 N ASN A 122 3.432 -3.464 0.567 1.00 0.70 N ATOM 1799 CA ASN A 122 4.013 -4.790 0.490 1.00 0.58 C ATOM 1800 C ASN A 122 2.922 -5.776 0.874 1.00 0.53 C ATOM 1801 O ASN A 122 2.080 -5.461 1.719 1.00 0.57 O ATOM 1802 CB ASN A 122 5.174 -4.920 1.489 1.00 0.80 C ATOM 1803 CG ASN A 122 6.480 -4.282 1.021 1.00 1.74 C ATOM 1804 OD1 ASN A 122 6.546 -3.100 0.696 1.00 3.43 O ATOM 1805 ND2 ASN A 122 7.561 -5.052 0.994 1.00 1.65 N ATOM 0 H ASN A 122 3.080 -3.266 1.503 1.00 0.70 H new ATOM 0 HA ASN A 122 4.394 -4.980 -0.513 1.00 0.58 H new ATOM 0 HB2 ASN A 122 4.878 -4.463 2.433 1.00 0.80 H new ATOM 0 HB3 ASN A 122 5.350 -5.977 1.688 1.00 0.80 H new ATOM 0 HD21 ASN A 122 8.457 -4.663 0.701 1.00 1.65 H new ATOM 0 HD22 ASN A 122 7.495 -6.033 1.266 1.00 1.65 H new ATOM 1812 N TYR A 123 2.923 -6.950 0.247 1.00 0.50 N ATOM 1813 CA TYR A 123 1.874 -7.949 0.359 1.00 0.50 C ATOM 1814 C TYR A 123 2.523 -9.321 0.416 1.00 0.57 C ATOM 1815 O TYR A 123 3.530 -9.536 -0.262 1.00 0.70 O ATOM 1816 CB TYR A 123 0.961 -7.856 -0.864 1.00 0.50 C ATOM 1817 CG TYR A 123 0.486 -6.449 -1.140 1.00 0.46 C ATOM 1818 CD1 TYR A 123 -0.607 -5.933 -0.431 1.00 1.71 C ATOM 1819 CD2 TYR A 123 1.240 -5.604 -1.973 1.00 1.79 C ATOM 1820 CE1 TYR A 123 -1.069 -4.640 -0.725 1.00 1.70 C ATOM 1821 CE2 TYR A 123 0.834 -4.281 -2.188 1.00 1.92 C ATOM 1822 CZ TYR A 123 -0.367 -3.833 -1.631 1.00 0.77 C ATOM 1823 OH TYR A 123 -0.886 -2.647 -2.037 1.00 0.88 O ATOM 0 H TYR A 123 3.681 -7.237 -0.372 1.00 0.50 H new ATOM 0 HA TYR A 123 1.282 -7.783 1.259 1.00 0.50 H new ATOM 0 HB2 TYR A 123 1.494 -8.232 -1.738 1.00 0.50 H new ATOM 0 HB3 TYR A 123 0.096 -8.503 -0.715 1.00 0.50 H new ATOM 0 HD1 TYR A 123 -1.089 -6.524 0.334 1.00 1.71 H new ATOM 0 HD2 TYR A 123 2.135 -5.976 -2.449 1.00 1.79 H new ATOM 0 HE1 TYR A 123 -1.966 -4.267 -0.253 1.00 1.70 H new ATOM 0 HE2 TYR A 123 1.443 -3.613 -2.779 1.00 1.92 H new ATOM 0 HH TYR A 123 -1.853 -2.740 -2.167 1.00 0.88 H new ATOM 1833 N ASP A 124 1.973 -10.234 1.219 1.00 0.59 N ATOM 1834 CA ASP A 124 2.594 -11.529 1.476 1.00 0.64 C ATOM 1835 C ASP A 124 1.504 -12.568 1.807 1.00 0.70 C ATOM 1836 O ASP A 124 0.477 -12.170 2.371 1.00 0.69 O ATOM 1837 CB ASP A 124 3.638 -11.324 2.581 1.00 1.02 C ATOM 1838 CG ASP A 124 4.616 -12.454 2.756 1.00 1.43 C ATOM 1839 OD1 ASP A 124 5.102 -13.014 1.754 1.00 2.48 O ATOM 1840 OD2 ASP A 124 4.976 -12.731 3.916 1.00 2.08 O ATOM 0 H ASP A 124 1.088 -10.095 1.706 1.00 0.59 H new ATOM 0 HA ASP A 124 3.113 -11.928 0.604 1.00 0.64 H new ATOM 0 HB2 ASP A 124 4.195 -10.412 2.367 1.00 1.02 H new ATOM 0 HB3 ASP A 124 3.118 -11.166 3.526 1.00 1.02 H new ATOM 1845 N PRO A 125 1.630 -13.867 1.466 1.00 0.93 N ATOM 1846 CA PRO A 125 2.558 -14.449 0.498 1.00 0.98 C ATOM 1847 C PRO A 125 2.517 -13.677 -0.821 1.00 0.97 C ATOM 1848 O PRO A 125 1.455 -13.185 -1.200 1.00 1.13 O ATOM 1849 CB PRO A 125 2.143 -15.912 0.322 1.00 1.18 C ATOM 1850 CG PRO A 125 0.699 -15.957 0.810 1.00 1.33 C ATOM 1851 CD PRO A 125 0.674 -14.878 1.890 1.00 1.17 C ATOM 0 HA PRO A 125 3.589 -14.391 0.847 1.00 0.98 H new ATOM 0 HB2 PRO A 125 2.221 -16.225 -0.719 1.00 1.18 H new ATOM 0 HB3 PRO A 125 2.780 -16.579 0.903 1.00 1.18 H new ATOM 0 HG2 PRO A 125 -0.006 -15.742 0.007 1.00 1.33 H new ATOM 0 HG3 PRO A 125 0.438 -16.936 1.210 1.00 1.33 H new ATOM 0 HD2 PRO A 125 -0.324 -14.452 1.994 1.00 1.17 H new ATOM 0 HD3 PRO A 125 0.947 -15.291 2.861 1.00 1.17 H new ATOM 1859 N VAL A 126 3.685 -13.493 -1.446 1.00 1.07 N ATOM 1860 CA VAL A 126 3.921 -12.461 -2.452 1.00 1.14 C ATOM 1861 C VAL A 126 2.781 -12.350 -3.466 1.00 1.05 C ATOM 1862 O VAL A 126 2.344 -13.337 -4.060 1.00 1.03 O ATOM 1863 CB VAL A 126 5.296 -12.600 -3.125 1.00 1.32 C ATOM 1864 CG1 VAL A 126 6.429 -12.586 -2.090 1.00 1.49 C ATOM 1865 CG2 VAL A 126 5.419 -13.877 -3.969 1.00 1.40 C ATOM 0 H VAL A 126 4.506 -14.070 -1.261 1.00 1.07 H new ATOM 0 HA VAL A 126 3.937 -11.513 -1.913 1.00 1.14 H new ATOM 0 HB VAL A 126 5.386 -11.739 -3.787 1.00 1.32 H new ATOM 0 HG11 VAL A 126 7.388 -12.686 -2.599 1.00 1.49 H new ATOM 0 HG12 VAL A 126 6.407 -11.646 -1.539 1.00 1.49 H new ATOM 0 HG13 VAL A 126 6.298 -13.416 -1.396 1.00 1.49 H new ATOM 0 HG21 VAL A 126 6.411 -13.921 -4.420 1.00 1.40 H new ATOM 0 HG22 VAL A 126 5.270 -14.749 -3.333 1.00 1.40 H new ATOM 0 HG23 VAL A 126 4.664 -13.868 -4.755 1.00 1.40 H new ATOM 1875 N GLY A 127 2.282 -11.132 -3.639 1.00 1.40 N ATOM 1876 CA GLY A 127 1.155 -10.856 -4.503 1.00 1.39 C ATOM 1877 C GLY A 127 1.638 -10.419 -5.881 1.00 1.29 C ATOM 1878 O GLY A 127 2.818 -10.129 -6.088 1.00 1.35 O ATOM 0 H GLY A 127 2.657 -10.304 -3.176 1.00 1.40 H new ATOM 0 HA2 GLY A 127 0.532 -11.746 -4.594 1.00 1.39 H new ATOM 0 HA3 GLY A 127 0.534 -10.075 -4.064 1.00 1.39 H new ATOM 1882 N ASN A 128 0.718 -10.398 -6.846 1.00 1.27 N ATOM 1883 CA ASN A 128 0.994 -10.101 -8.252 1.00 1.31 C ATOM 1884 C ASN A 128 1.885 -11.169 -8.903 1.00 1.34 C ATOM 1885 O ASN A 128 2.440 -10.960 -9.980 1.00 1.44 O ATOM 1886 CB ASN A 128 1.558 -8.679 -8.404 1.00 1.45 C ATOM 1887 CG ASN A 128 1.056 -8.001 -9.677 1.00 1.12 C ATOM 1888 OD1 ASN A 128 0.944 -8.613 -10.732 1.00 1.93 O ATOM 1889 ND2 ASN A 128 0.725 -6.717 -9.581 1.00 1.39 N ATOM 0 H ASN A 128 -0.267 -10.593 -6.666 1.00 1.27 H new ATOM 0 HA ASN A 128 0.051 -10.134 -8.797 1.00 1.31 H new ATOM 0 HB2 ASN A 128 1.274 -8.081 -7.538 1.00 1.45 H new ATOM 0 HB3 ASN A 128 2.647 -8.720 -8.420 1.00 1.45 H new ATOM 0 HD21 ASN A 128 0.369 -6.220 -10.397 1.00 1.39 H new ATOM 0 HD22 ASN A 128 0.827 -6.229 -8.691 1.00 1.39 H new ATOM 1896 N TRP A 129 2.075 -12.293 -8.211 1.00 1.35 N ATOM 1897 CA TRP A 129 2.951 -13.397 -8.570 1.00 1.41 C ATOM 1898 C TRP A 129 2.161 -14.507 -9.273 1.00 1.61 C ATOM 1899 O TRP A 129 1.025 -14.787 -8.887 1.00 1.95 O ATOM 1900 CB TRP A 129 3.674 -13.840 -7.288 1.00 1.35 C ATOM 1901 CG TRP A 129 3.819 -15.296 -6.970 1.00 1.45 C ATOM 1902 CD1 TRP A 129 2.829 -16.120 -6.561 1.00 1.45 C ATOM 1903 CD2 TRP A 129 5.047 -16.070 -6.856 1.00 1.65 C ATOM 1904 NE1 TRP A 129 3.351 -17.357 -6.247 1.00 1.60 N ATOM 1905 CE2 TRP A 129 4.722 -17.373 -6.384 1.00 1.71 C ATOM 1906 CE3 TRP A 129 6.410 -15.787 -7.072 1.00 1.85 C ATOM 1907 CZ2 TRP A 129 5.702 -18.345 -6.147 1.00 1.92 C ATOM 1908 CZ3 TRP A 129 7.404 -16.741 -6.806 1.00 2.09 C ATOM 1909 CH2 TRP A 129 7.051 -18.027 -6.373 1.00 2.09 C ATOM 0 H TRP A 129 1.588 -12.462 -7.331 1.00 1.35 H new ATOM 0 HA TRP A 129 3.707 -13.101 -9.297 1.00 1.41 H new ATOM 0 HB2 TRP A 129 4.677 -13.415 -7.319 1.00 1.35 H new ATOM 0 HB3 TRP A 129 3.157 -13.376 -6.448 1.00 1.35 H new ATOM 0 HD1 TRP A 129 1.786 -15.850 -6.491 1.00 1.45 H new ATOM 0 HE1 TRP A 129 2.793 -18.158 -5.951 1.00 1.60 H new ATOM 0 HE3 TRP A 129 6.696 -14.816 -7.450 1.00 1.85 H new ATOM 0 HZ2 TRP A 129 5.424 -19.327 -5.795 1.00 1.92 H new ATOM 0 HZ3 TRP A 129 8.445 -16.484 -6.935 1.00 2.09 H new ATOM 0 HH2 TRP A 129 7.816 -18.772 -6.213 1.00 2.09 H new ATOM 1920 N ILE A 130 2.743 -15.160 -10.279 1.00 1.66 N ATOM 1921 CA ILE A 130 2.055 -16.250 -10.963 1.00 1.82 C ATOM 1922 C ILE A 130 2.035 -17.475 -10.043 1.00 1.99 C ATOM 1923 O ILE A 130 2.963 -17.682 -9.261 1.00 2.14 O ATOM 1924 CB ILE A 130 2.680 -16.536 -12.347 1.00 1.99 C ATOM 1925 CG1 ILE A 130 1.705 -16.201 -13.490 1.00 2.31 C ATOM 1926 CG2 ILE A 130 3.219 -17.964 -12.532 1.00 2.15 C ATOM 1927 CD1 ILE A 130 0.401 -17.009 -13.514 1.00 3.93 C ATOM 0 H ILE A 130 3.677 -14.955 -10.633 1.00 1.66 H new ATOM 0 HA ILE A 130 1.023 -15.966 -11.171 1.00 1.82 H new ATOM 0 HB ILE A 130 3.545 -15.874 -12.388 1.00 1.99 H new ATOM 0 HG12 ILE A 130 1.453 -15.142 -13.429 1.00 2.31 H new ATOM 0 HG13 ILE A 130 2.221 -16.352 -14.438 1.00 2.31 H new ATOM 0 HG21 ILE A 130 3.637 -18.068 -13.533 1.00 2.15 H new ATOM 0 HG22 ILE A 130 3.995 -18.159 -11.792 1.00 2.15 H new ATOM 0 HG23 ILE A 130 2.407 -18.679 -12.402 1.00 2.15 H new ATOM 0 HD11 ILE A 130 -0.209 -16.691 -14.359 1.00 3.93 H new ATOM 0 HD12 ILE A 130 0.632 -18.070 -13.612 1.00 3.93 H new ATOM 0 HD13 ILE A 130 -0.148 -16.842 -12.587 1.00 3.93 H new ATOM 1939 N GLY A 131 0.994 -18.301 -10.159 1.00 2.31 N ATOM 1940 CA GLY A 131 0.825 -19.495 -9.340 1.00 2.71 C ATOM 1941 C GLY A 131 0.200 -19.142 -7.992 1.00 2.97 C ATOM 1942 O GLY A 131 0.603 -19.677 -6.961 1.00 4.15 O ATOM 0 H GLY A 131 0.240 -18.156 -10.831 1.00 2.31 H new ATOM 0 HA2 GLY A 131 0.193 -20.214 -9.862 1.00 2.71 H new ATOM 0 HA3 GLY A 131 1.791 -19.975 -9.184 1.00 2.71 H new ATOM 1946 N GLN A 132 -0.773 -18.228 -8.019 1.00 2.23 N ATOM 1947 CA GLN A 132 -1.677 -17.885 -6.926 1.00 2.36 C ATOM 1948 C GLN A 132 -2.941 -17.281 -7.548 1.00 2.24 C ATOM 1949 O GLN A 132 -4.054 -17.721 -7.252 1.00 3.57 O ATOM 1950 CB GLN A 132 -1.022 -16.900 -5.944 1.00 2.28 C ATOM 1951 CG GLN A 132 -0.262 -17.580 -4.792 1.00 2.60 C ATOM 1952 CD GLN A 132 0.116 -16.624 -3.663 1.00 2.73 C ATOM 1953 OE1 GLN A 132 0.159 -17.021 -2.504 1.00 3.80 O ATOM 1954 NE2 GLN A 132 0.388 -15.362 -3.977 1.00 2.76 N ATOM 0 H GLN A 132 -0.959 -17.676 -8.856 1.00 2.23 H new ATOM 0 HA GLN A 132 -1.923 -18.777 -6.350 1.00 2.36 H new ATOM 0 HB2 GLN A 132 -0.332 -16.260 -6.493 1.00 2.28 H new ATOM 0 HB3 GLN A 132 -1.793 -16.253 -5.526 1.00 2.28 H new ATOM 0 HG2 GLN A 132 -0.877 -18.384 -4.386 1.00 2.60 H new ATOM 0 HG3 GLN A 132 0.644 -18.040 -5.187 1.00 2.60 H new ATOM 0 HE21 GLN A 132 0.345 -15.058 -4.950 1.00 2.76 H new ATOM 0 HE22 GLN A 132 0.640 -14.697 -3.245 1.00 2.76 H new ATOM 1963 N ARG A 133 -2.725 -16.295 -8.429 1.00 2.10 N ATOM 1964 CA ARG A 133 -3.717 -15.510 -9.168 1.00 2.01 C ATOM 1965 C ARG A 133 -4.400 -14.477 -8.259 1.00 1.44 C ATOM 1966 O ARG A 133 -4.478 -14.691 -7.047 1.00 1.28 O ATOM 1967 CB ARG A 133 -4.741 -16.388 -9.907 1.00 2.24 C ATOM 1968 CG ARG A 133 -4.065 -17.397 -10.849 1.00 3.34 C ATOM 1969 CD ARG A 133 -5.064 -18.161 -11.740 1.00 3.58 C ATOM 1970 NE ARG A 133 -6.354 -18.417 -11.078 1.00 3.23 N ATOM 1971 CZ ARG A 133 -6.540 -19.103 -9.944 1.00 4.37 C ATOM 1972 NH1 ARG A 133 -5.555 -19.838 -9.427 1.00 5.60 N ATOM 1973 NH2 ARG A 133 -7.704 -18.985 -9.316 1.00 5.26 N ATOM 0 H ARG A 133 -1.775 -16.004 -8.660 1.00 2.10 H new ATOM 0 HA ARG A 133 -3.174 -14.965 -9.940 1.00 2.01 H new ATOM 0 HB2 ARG A 133 -5.350 -16.924 -9.179 1.00 2.24 H new ATOM 0 HB3 ARG A 133 -5.415 -15.753 -10.481 1.00 2.24 H new ATOM 0 HG2 ARG A 133 -3.352 -16.870 -11.483 1.00 3.34 H new ATOM 0 HG3 ARG A 133 -3.496 -18.113 -10.256 1.00 3.34 H new ATOM 0 HD2 ARG A 133 -5.238 -17.590 -12.652 1.00 3.58 H new ATOM 0 HD3 ARG A 133 -4.621 -19.111 -12.039 1.00 3.58 H new ATOM 0 HE ARG A 133 -7.186 -18.035 -11.527 1.00 3.23 H new ATOM 0 HH11 ARG A 133 -4.650 -19.881 -9.896 1.00 5.60 H new ATOM 0 HH12 ARG A 133 -5.706 -20.357 -8.562 1.00 5.60 H new ATOM 0 HH21 ARG A 133 -8.432 -18.382 -9.700 1.00 5.26 H new ATOM 0 HH22 ARG A 133 -7.870 -19.497 -8.450 1.00 5.26 H new ATOM 1987 N PRO A 134 -4.857 -13.343 -8.823 1.00 1.25 N ATOM 1988 CA PRO A 134 -5.496 -12.294 -8.050 1.00 0.91 C ATOM 1989 C PRO A 134 -6.845 -12.745 -7.522 1.00 0.83 C ATOM 1990 O PRO A 134 -7.062 -12.781 -6.318 1.00 1.10 O ATOM 1991 CB PRO A 134 -5.644 -11.088 -8.984 1.00 0.91 C ATOM 1992 CG PRO A 134 -5.518 -11.661 -10.396 1.00 1.14 C ATOM 1993 CD PRO A 134 -4.713 -12.948 -10.220 1.00 1.50 C ATOM 0 HA PRO A 134 -4.896 -12.038 -7.177 1.00 0.91 H new ATOM 0 HB2 PRO A 134 -6.606 -10.595 -8.843 1.00 0.91 H new ATOM 0 HB3 PRO A 134 -4.873 -10.342 -8.791 1.00 0.91 H new ATOM 0 HG2 PRO A 134 -6.497 -11.862 -10.831 1.00 1.14 H new ATOM 0 HG3 PRO A 134 -5.010 -10.964 -11.063 1.00 1.14 H new ATOM 0 HD2 PRO A 134 -5.083 -13.730 -10.884 1.00 1.50 H new ATOM 0 HD3 PRO A 134 -3.665 -12.786 -10.471 1.00 1.50 H new ATOM 2001 N TYR A 135 -7.754 -13.043 -8.434 1.00 0.84 N ATOM 2002 CA TYR A 135 -9.110 -13.466 -8.184 1.00 0.99 C ATOM 2003 C TYR A 135 -9.496 -14.324 -9.388 1.00 1.30 C ATOM 2004 O TYR A 135 -8.616 -14.424 -10.276 1.00 2.39 O ATOM 2005 CB TYR A 135 -10.043 -12.257 -7.966 1.00 0.97 C ATOM 2006 CG TYR A 135 -10.436 -11.369 -9.144 1.00 0.82 C ATOM 2007 CD1 TYR A 135 -9.652 -11.248 -10.310 1.00 1.67 C ATOM 2008 CD2 TYR A 135 -11.598 -10.586 -9.019 1.00 2.09 C ATOM 2009 CE1 TYR A 135 -10.060 -10.402 -11.358 1.00 1.57 C ATOM 2010 CE2 TYR A 135 -11.988 -9.723 -10.055 1.00 2.42 C ATOM 2011 CZ TYR A 135 -11.252 -9.672 -11.244 1.00 1.37 C ATOM 2012 OH TYR A 135 -11.672 -8.868 -12.260 1.00 1.85 O ATOM 2013 OXT TYR A 135 -10.300 -15.249 -9.165 1.00 1.70 O ATOM 0 H TYR A 135 -7.545 -12.991 -9.431 1.00 0.84 H new ATOM 0 HA TYR A 135 -9.203 -14.044 -7.265 1.00 0.99 H new ATOM 0 HB2 TYR A 135 -10.965 -12.636 -7.525 1.00 0.97 H new ATOM 0 HB3 TYR A 135 -9.573 -11.616 -7.221 1.00 0.97 H new ATOM 0 HD1 TYR A 135 -8.733 -11.808 -10.399 1.00 1.67 H new ATOM 0 HD2 TYR A 135 -12.194 -10.649 -8.120 1.00 2.09 H new ATOM 0 HE1 TYR A 135 -9.456 -10.315 -12.249 1.00 1.57 H new ATOM 0 HE2 TYR A 135 -12.859 -9.096 -9.934 1.00 2.42 H new ATOM 0 HH TYR A 135 -10.943 -8.270 -12.527 1.00 1.85 H new