USER MOD reduce.3.24.130724 H: found=0, std=0, add=1233, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1227 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 111 THR OG1 : rot 67:sc= -0.581 USER MOD Set 1.2: A 124 SER OG : rot -149:sc= 0.436 USER MOD Set 2.1: A 99 ASN : amide:sc= 0.567 K(o=0.15,f=-0.51) USER MOD Set 2.2: A 101 TYR OH : rot 173:sc= -0.416 USER MOD Set 3.1: A 1 ALA N :NH3+ -115:sc= 0.938 (180deg=-2.2!) USER MOD Set 3.2: A 135 THR OG1 : rot -68:sc= 1.15 USER MOD Single : A 3 SER OG : rot 49:sc= 0.498 USER MOD Single : A 4 TYR OH : rot -100:sc= 0.276 USER MOD Single : A 5 HIS : no HD1:sc= -0.315 X(o=-0.32,f=-0.0032) USER MOD Single : A 13 THR OG1 : rot 6:sc= 1.26 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0447 USER MOD Single : A 21 ASN : amide:sc= -0.606 K(o=-0.61,f=-8.8!) USER MOD Single : A 24 ASN : amide:sc= -0.0832 X(o=-0.083,f=-0.052) USER MOD Single : A 25 SER OG : rot 26:sc= 0.624 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot -30:sc= -0.101 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -65:sc= 0.307 USER MOD Single : A 48 GLN : amide:sc= 0.638 K(o=0.64,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= 0.699 (180deg=0.554) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 67 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-2) USER MOD Single : A 72 ASN : amide:sc= -0.0621 K(o=-0.062,f=-0.62) USER MOD Single : A 74 ASN : amide:sc= -0.0179 K(o=-0.018,f=-0.68) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.00512 USER MOD Single : A 83 LYS NZ :NH3+ -125:sc= 1.23 (180deg=0.2) USER MOD Single : A 84 GLN : amide:sc= -0.918 K(o=-0.92,f=-3.4!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 19:sc= 0.765 USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= 1.09 (180deg=1.03) USER MOD Single : A 97 ASN : amide:sc= 0.157 K(o=0.16,f=-1.8) USER MOD Single : A 100 ASN : amide:sc= -0.0405 X(o=-0.04,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 157:sc= 0.615 (180deg=0.146) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -47:sc= 0.57 USER MOD Single : A 115 SER OG : rot 61:sc= 0.147 USER MOD Single : A 117 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.8!) USER MOD Single : A 118 LYS NZ :NH3+ 165:sc= -0.0183 (180deg=-0.31) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 123 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.079) USER MOD Single : A 126 ASN : amide:sc= -0.0982 K(o=-0.098,f=-3.3!) USER MOD Single : A 127 HIS : no HD1:sc= -0.0929 X(o=-0.093,f=0) USER MOD Single : A 130 THR OG1 : rot 78:sc= 0.889 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 99:sc= 1.12 USER MOD Single : A 143 CYS SG : rot -3:sc= -0.162 USER MOD Single : A 146 LYS NZ :NH3+ -176:sc= 0.376 (180deg=0.37) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot 83:sc= 0.65 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.133 -8.195 6.996 1.00 3.61 N ATOM 2 CA ALA A 1 -12.610 -9.567 6.982 1.00 2.29 C ATOM 3 C ALA A 1 -13.434 -10.501 6.089 1.00 1.73 C ATOM 4 O ALA A 1 -12.882 -10.978 5.105 1.00 2.95 O ATOM 5 CB ALA A 1 -12.387 -10.121 8.387 1.00 2.84 C ATOM 0 H1 ALA A 1 -12.436 -7.553 6.567 1.00 3.61 H new ATOM 0 H2 ALA A 1 -14.020 -8.156 6.454 1.00 3.61 H new ATOM 0 H3 ALA A 1 -13.314 -7.903 7.977 1.00 3.61 H new ATOM 0 HA ALA A 1 -11.622 -9.517 6.523 1.00 2.29 H new ATOM 0 HB1 ALA A 1 -12.000 -11.138 8.320 1.00 2.84 H new ATOM 0 HB2 ALA A 1 -11.669 -9.494 8.916 1.00 2.84 H new ATOM 0 HB3 ALA A 1 -13.332 -10.128 8.930 1.00 2.84 H new ATOM 11 N PRO A 2 -14.724 -10.778 6.357 1.00 2.23 N ATOM 12 CA PRO A 2 -15.467 -11.809 5.634 1.00 3.34 C ATOM 13 C PRO A 2 -15.922 -11.389 4.230 1.00 2.65 C ATOM 14 O PRO A 2 -16.584 -12.174 3.556 1.00 3.23 O ATOM 15 CB PRO A 2 -16.682 -12.115 6.517 1.00 5.40 C ATOM 16 CG PRO A 2 -16.963 -10.764 7.166 1.00 5.56 C ATOM 17 CD PRO A 2 -15.553 -10.245 7.427 1.00 3.80 C ATOM 0 HA PRO A 2 -14.824 -12.672 5.462 1.00 3.34 H new ATOM 0 HB2 PRO A 2 -17.531 -12.469 5.932 1.00 5.40 H new ATOM 0 HB3 PRO A 2 -16.463 -12.884 7.258 1.00 5.40 H new ATOM 0 HG2 PRO A 2 -17.527 -10.103 6.507 1.00 5.56 H new ATOM 0 HG3 PRO A 2 -17.539 -10.864 8.086 1.00 5.56 H new ATOM 0 HD2 PRO A 2 -15.533 -9.155 7.430 1.00 3.80 H new ATOM 0 HD3 PRO A 2 -15.191 -10.573 8.401 1.00 3.80 H new ATOM 25 N SER A 3 -15.599 -10.180 3.769 1.00 1.80 N ATOM 26 CA SER A 3 -16.051 -9.693 2.474 1.00 1.75 C ATOM 27 C SER A 3 -14.905 -8.943 1.807 1.00 1.58 C ATOM 28 O SER A 3 -14.154 -8.239 2.483 1.00 1.58 O ATOM 29 CB SER A 3 -17.304 -8.819 2.641 1.00 2.22 C ATOM 30 OG SER A 3 -17.481 -8.359 3.970 1.00 3.14 O ATOM 0 H SER A 3 -15.019 -9.517 4.283 1.00 1.80 H new ATOM 0 HA SER A 3 -16.335 -10.526 1.831 1.00 1.75 H new ATOM 0 HB2 SER A 3 -17.235 -7.962 1.971 1.00 2.22 H new ATOM 0 HB3 SER A 3 -18.182 -9.390 2.339 1.00 2.22 H new ATOM 0 HG SER A 3 -16.642 -7.973 4.297 1.00 3.14 H new ATOM 36 N TYR A 4 -14.768 -9.097 0.489 1.00 1.54 N ATOM 37 CA TYR A 4 -13.623 -8.638 -0.272 1.00 1.41 C ATOM 38 C TYR A 4 -14.139 -8.022 -1.567 1.00 1.25 C ATOM 39 O TYR A 4 -15.118 -8.518 -2.124 1.00 1.47 O ATOM 40 CB TYR A 4 -12.741 -9.849 -0.605 1.00 1.63 C ATOM 41 CG TYR A 4 -12.410 -10.766 0.562 1.00 1.72 C ATOM 42 CD1 TYR A 4 -13.215 -11.888 0.842 1.00 2.49 C ATOM 43 CD2 TYR A 4 -11.295 -10.493 1.372 1.00 2.21 C ATOM 44 CE1 TYR A 4 -12.915 -12.720 1.936 1.00 2.65 C ATOM 45 CE2 TYR A 4 -10.994 -11.312 2.475 1.00 2.65 C ATOM 46 CZ TYR A 4 -11.809 -12.428 2.766 1.00 2.43 C ATOM 47 OH TYR A 4 -11.535 -13.215 3.846 1.00 2.93 O ATOM 0 H TYR A 4 -15.473 -9.557 -0.086 1.00 1.54 H new ATOM 0 HA TYR A 4 -13.045 -7.906 0.293 1.00 1.41 H new ATOM 0 HB2 TYR A 4 -13.240 -10.437 -1.375 1.00 1.63 H new ATOM 0 HB3 TYR A 4 -11.807 -9.487 -1.035 1.00 1.63 H new ATOM 0 HD1 TYR A 4 -14.065 -12.110 0.214 1.00 2.49 H new ATOM 0 HD2 TYR A 4 -10.663 -9.647 1.146 1.00 2.21 H new ATOM 0 HE1 TYR A 4 -13.531 -13.583 2.142 1.00 2.65 H new ATOM 0 HE2 TYR A 4 -10.141 -11.088 3.098 1.00 2.65 H new ATOM 0 HH TYR A 4 -11.869 -12.782 4.659 1.00 2.93 H new ATOM 57 N HIS A 5 -13.487 -6.978 -2.075 1.00 1.00 N ATOM 58 CA HIS A 5 -13.833 -6.405 -3.368 1.00 0.87 C ATOM 59 C HIS A 5 -12.577 -5.819 -4.004 1.00 0.84 C ATOM 60 O HIS A 5 -11.671 -5.387 -3.293 1.00 1.17 O ATOM 61 CB HIS A 5 -14.909 -5.326 -3.191 1.00 0.97 C ATOM 62 CG HIS A 5 -15.700 -5.081 -4.452 1.00 1.05 C ATOM 63 ND1 HIS A 5 -16.988 -5.514 -4.678 1.00 1.75 N ATOM 64 CD2 HIS A 5 -15.272 -4.440 -5.583 1.00 0.78 C ATOM 65 CE1 HIS A 5 -17.325 -5.139 -5.925 1.00 1.79 C ATOM 66 NE2 HIS A 5 -16.308 -4.495 -6.519 1.00 1.21 N ATOM 0 H HIS A 5 -12.712 -6.511 -1.605 1.00 1.00 H new ATOM 0 HA HIS A 5 -14.234 -7.179 -4.022 1.00 0.87 H new ATOM 0 HB2 HIS A 5 -15.589 -5.624 -2.393 1.00 0.97 H new ATOM 0 HB3 HIS A 5 -14.436 -4.395 -2.877 1.00 0.97 H new ATOM 0 HD2 HIS A 5 -14.308 -3.976 -5.726 1.00 0.78 H new ATOM 0 HE1 HIS A 5 -18.283 -5.330 -6.385 1.00 1.79 H new ATOM 0 HE2 HIS A 5 -16.294 -4.120 -7.467 1.00 1.21 H new ATOM 74 N VAL A 6 -12.509 -5.788 -5.337 1.00 0.61 N ATOM 75 CA VAL A 6 -11.386 -5.185 -6.041 1.00 0.62 C ATOM 76 C VAL A 6 -11.880 -4.221 -7.107 1.00 0.53 C ATOM 77 O VAL A 6 -12.800 -4.531 -7.868 1.00 0.60 O ATOM 78 CB VAL A 6 -10.491 -6.279 -6.625 1.00 0.80 C ATOM 79 CG1 VAL A 6 -9.229 -5.674 -7.250 1.00 1.83 C ATOM 80 CG2 VAL A 6 -10.112 -7.233 -5.493 1.00 2.02 C ATOM 0 H VAL A 6 -13.226 -6.177 -5.949 1.00 0.61 H new ATOM 0 HA VAL A 6 -10.787 -4.605 -5.338 1.00 0.62 H new ATOM 0 HB VAL A 6 -11.025 -6.813 -7.411 1.00 0.80 H new ATOM 0 HG11 VAL A 6 -8.608 -6.471 -7.659 1.00 1.83 H new ATOM 0 HG12 VAL A 6 -9.511 -4.988 -8.049 1.00 1.83 H new ATOM 0 HG13 VAL A 6 -8.669 -5.132 -6.488 1.00 1.83 H new ATOM 0 HG21 VAL A 6 -9.472 -8.025 -5.883 1.00 2.02 H new ATOM 0 HG22 VAL A 6 -9.578 -6.684 -4.718 1.00 2.02 H new ATOM 0 HG23 VAL A 6 -11.015 -7.672 -5.069 1.00 2.02 H new ATOM 90 N VAL A 7 -11.224 -3.069 -7.198 1.00 0.58 N ATOM 91 CA VAL A 7 -11.569 -1.983 -8.091 1.00 0.59 C ATOM 92 C VAL A 7 -10.330 -1.724 -8.936 1.00 0.76 C ATOM 93 O VAL A 7 -9.205 -1.941 -8.487 1.00 1.13 O ATOM 94 CB VAL A 7 -12.000 -0.754 -7.271 1.00 0.68 C ATOM 95 CG1 VAL A 7 -12.585 0.323 -8.191 1.00 1.49 C ATOM 96 CG2 VAL A 7 -13.061 -1.134 -6.229 1.00 1.59 C ATOM 0 H VAL A 7 -10.405 -2.864 -6.626 1.00 0.58 H new ATOM 0 HA VAL A 7 -12.412 -2.222 -8.740 1.00 0.59 H new ATOM 0 HB VAL A 7 -11.115 -0.371 -6.764 1.00 0.68 H new ATOM 0 HG11 VAL A 7 -12.885 1.186 -7.596 1.00 1.49 H new ATOM 0 HG12 VAL A 7 -11.833 0.628 -8.919 1.00 1.49 H new ATOM 0 HG13 VAL A 7 -13.454 -0.077 -8.713 1.00 1.49 H new ATOM 0 HG21 VAL A 7 -13.349 -0.248 -5.663 1.00 1.59 H new ATOM 0 HG22 VAL A 7 -13.937 -1.542 -6.734 1.00 1.59 H new ATOM 0 HG23 VAL A 7 -12.652 -1.882 -5.550 1.00 1.59 H new ATOM 106 N ARG A 8 -10.522 -1.310 -10.186 1.00 0.76 N ATOM 107 CA ARG A 8 -9.446 -1.214 -11.160 1.00 0.97 C ATOM 108 C ARG A 8 -9.360 0.221 -11.650 1.00 1.03 C ATOM 109 O ARG A 8 -9.908 0.567 -12.690 1.00 1.50 O ATOM 110 CB ARG A 8 -9.652 -2.244 -12.277 1.00 1.41 C ATOM 111 CG ARG A 8 -10.984 -2.065 -13.027 1.00 1.82 C ATOM 112 CD ARG A 8 -11.633 -3.399 -13.422 1.00 2.74 C ATOM 113 NE ARG A 8 -12.882 -3.667 -12.683 1.00 4.00 N ATOM 114 CZ ARG A 8 -13.007 -4.060 -11.405 1.00 5.48 C ATOM 115 NH1 ARG A 8 -14.213 -4.225 -10.862 1.00 6.61 N ATOM 116 NH2 ARG A 8 -11.937 -4.261 -10.643 1.00 6.39 N ATOM 0 H ARG A 8 -11.433 -1.031 -10.550 1.00 0.76 H new ATOM 0 HA ARG A 8 -8.483 -1.458 -10.711 1.00 0.97 H new ATOM 0 HB2 ARG A 8 -8.829 -2.169 -12.988 1.00 1.41 H new ATOM 0 HB3 ARG A 8 -9.614 -3.246 -11.850 1.00 1.41 H new ATOM 0 HG2 ARG A 8 -11.675 -1.502 -12.400 1.00 1.82 H new ATOM 0 HG3 ARG A 8 -10.812 -1.471 -13.924 1.00 1.82 H new ATOM 0 HD2 ARG A 8 -11.843 -3.393 -14.492 1.00 2.74 H new ATOM 0 HD3 ARG A 8 -10.927 -4.209 -13.240 1.00 2.74 H new ATOM 0 HE ARG A 8 -13.750 -3.539 -13.203 1.00 4.00 H new ATOM 0 HH11 ARG A 8 -15.051 -4.053 -11.418 1.00 6.61 H new ATOM 0 HH12 ARG A 8 -14.298 -4.524 -9.890 1.00 6.61 H new ATOM 0 HH21 ARG A 8 -11.003 -4.117 -11.027 1.00 6.39 H new ATOM 0 HH22 ARG A 8 -12.050 -4.559 -9.674 1.00 6.39 H new ATOM 130 N GLY A 9 -8.681 1.059 -10.876 1.00 0.77 N ATOM 131 CA GLY A 9 -8.540 2.469 -11.161 1.00 0.84 C ATOM 132 C GLY A 9 -7.163 2.916 -10.704 1.00 0.69 C ATOM 133 O GLY A 9 -6.223 2.122 -10.688 1.00 0.82 O ATOM 0 H GLY A 9 -8.208 0.767 -10.021 1.00 0.77 H new ATOM 0 HA2 GLY A 9 -8.664 2.654 -12.228 1.00 0.84 H new ATOM 0 HA3 GLY A 9 -9.314 3.039 -10.647 1.00 0.84 H new ATOM 137 N ASP A 10 -7.042 4.185 -10.336 1.00 0.64 N ATOM 138 CA ASP A 10 -5.788 4.786 -9.923 1.00 0.57 C ATOM 139 C ASP A 10 -5.886 5.214 -8.463 1.00 0.47 C ATOM 140 O ASP A 10 -6.980 5.358 -7.915 1.00 0.48 O ATOM 141 CB ASP A 10 -5.463 5.981 -10.826 1.00 0.69 C ATOM 142 CG ASP A 10 -4.141 6.603 -10.386 1.00 1.92 C ATOM 143 OD1 ASP A 10 -4.152 7.794 -10.014 1.00 3.28 O ATOM 144 OD2 ASP A 10 -3.170 5.826 -10.276 1.00 2.68 O ATOM 0 H ASP A 10 -7.829 4.834 -10.317 1.00 0.64 H new ATOM 0 HA ASP A 10 -4.981 4.059 -10.017 1.00 0.57 H new ATOM 0 HB2 ASP A 10 -5.398 5.659 -11.865 1.00 0.69 H new ATOM 0 HB3 ASP A 10 -6.262 6.721 -10.771 1.00 0.69 H new ATOM 149 N ILE A 11 -4.738 5.444 -7.834 1.00 0.48 N ATOM 150 CA ILE A 11 -4.640 5.929 -6.469 1.00 0.48 C ATOM 151 C ILE A 11 -5.382 7.257 -6.303 1.00 0.50 C ATOM 152 O ILE A 11 -6.077 7.473 -5.316 1.00 0.56 O ATOM 153 CB ILE A 11 -3.148 5.971 -6.074 1.00 0.59 C ATOM 154 CG1 ILE A 11 -2.964 6.147 -4.563 1.00 2.08 C ATOM 155 CG2 ILE A 11 -2.300 6.987 -6.860 1.00 1.79 C ATOM 156 CD1 ILE A 11 -2.920 7.599 -4.085 1.00 3.84 C ATOM 0 H ILE A 11 -3.830 5.293 -8.273 1.00 0.48 H new ATOM 0 HA ILE A 11 -5.139 5.253 -5.775 1.00 0.48 H new ATOM 0 HB ILE A 11 -2.762 4.993 -6.361 1.00 0.59 H new ATOM 0 HG12 ILE A 11 -3.779 5.635 -4.050 1.00 2.08 H new ATOM 0 HG13 ILE A 11 -2.039 5.653 -4.264 1.00 2.08 H new ATOM 0 HG21 ILE A 11 -1.267 6.944 -6.514 1.00 1.79 H new ATOM 0 HG22 ILE A 11 -2.336 6.747 -7.923 1.00 1.79 H new ATOM 0 HG23 ILE A 11 -2.695 7.991 -6.701 1.00 1.79 H new ATOM 0 HD11 ILE A 11 -2.787 7.622 -3.003 1.00 3.84 H new ATOM 0 HD12 ILE A 11 -2.088 8.115 -4.564 1.00 3.84 H new ATOM 0 HD13 ILE A 11 -3.854 8.097 -4.347 1.00 3.84 H new ATOM 168 N ALA A 12 -5.287 8.134 -7.298 1.00 0.53 N ATOM 169 CA ALA A 12 -5.925 9.441 -7.299 1.00 0.60 C ATOM 170 C ALA A 12 -7.452 9.343 -7.361 1.00 0.61 C ATOM 171 O ALA A 12 -8.132 10.346 -7.154 1.00 0.72 O ATOM 172 CB ALA A 12 -5.401 10.270 -8.477 1.00 0.73 C ATOM 0 H ALA A 12 -4.750 7.948 -8.145 1.00 0.53 H new ATOM 0 HA ALA A 12 -5.673 9.932 -6.359 1.00 0.60 H new ATOM 0 HB1 ALA A 12 -5.881 11.249 -8.475 1.00 0.73 H new ATOM 0 HB2 ALA A 12 -4.322 10.395 -8.383 1.00 0.73 H new ATOM 0 HB3 ALA A 12 -5.627 9.757 -9.412 1.00 0.73 H new ATOM 178 N THR A 13 -7.997 8.157 -7.643 1.00 0.57 N ATOM 179 CA THR A 13 -9.434 7.918 -7.699 1.00 0.62 C ATOM 180 C THR A 13 -9.864 6.940 -6.604 1.00 0.56 C ATOM 181 O THR A 13 -11.030 6.559 -6.537 1.00 0.61 O ATOM 182 CB THR A 13 -9.819 7.412 -9.097 1.00 0.70 C ATOM 183 OG1 THR A 13 -9.031 6.301 -9.476 1.00 0.65 O ATOM 184 CG2 THR A 13 -9.608 8.507 -10.145 1.00 0.78 C ATOM 0 H THR A 13 -7.440 7.326 -7.841 1.00 0.57 H new ATOM 0 HA THR A 13 -9.962 8.854 -7.517 1.00 0.62 H new ATOM 0 HB THR A 13 -10.869 7.124 -9.050 1.00 0.70 H new ATOM 0 HG1 THR A 13 -8.466 6.029 -8.723 1.00 0.65 H new ATOM 0 HG21 THR A 13 -9.887 8.128 -11.128 1.00 0.78 H new ATOM 0 HG22 THR A 13 -10.227 9.370 -9.900 1.00 0.78 H new ATOM 0 HG23 THR A 13 -8.559 8.804 -10.155 1.00 0.78 H new ATOM 192 N ALA A 14 -8.935 6.531 -5.739 1.00 0.50 N ATOM 193 CA ALA A 14 -9.192 5.612 -4.647 1.00 0.46 C ATOM 194 C ALA A 14 -9.701 6.413 -3.455 1.00 0.45 C ATOM 195 O ALA A 14 -9.076 6.459 -2.402 1.00 0.48 O ATOM 196 CB ALA A 14 -7.896 4.870 -4.314 1.00 0.45 C ATOM 0 H ALA A 14 -7.964 6.840 -5.785 1.00 0.50 H new ATOM 0 HA ALA A 14 -9.947 4.874 -4.917 1.00 0.46 H new ATOM 0 HB1 ALA A 14 -8.075 4.175 -3.494 1.00 0.45 H new ATOM 0 HB2 ALA A 14 -7.558 4.317 -5.190 1.00 0.45 H new ATOM 0 HB3 ALA A 14 -7.131 5.588 -4.020 1.00 0.45 H new ATOM 202 N THR A 15 -10.826 7.098 -3.619 1.00 0.47 N ATOM 203 CA THR A 15 -11.377 8.005 -2.627 1.00 0.49 C ATOM 204 C THR A 15 -12.133 7.266 -1.514 1.00 0.47 C ATOM 205 O THR A 15 -13.165 7.747 -1.048 1.00 0.51 O ATOM 206 CB THR A 15 -12.273 9.009 -3.365 1.00 0.59 C ATOM 207 OG1 THR A 15 -13.139 8.336 -4.253 1.00 1.15 O ATOM 208 CG2 THR A 15 -11.423 9.986 -4.180 1.00 0.78 C ATOM 0 H THR A 15 -11.391 7.035 -4.466 1.00 0.47 H new ATOM 0 HA THR A 15 -10.568 8.529 -2.118 1.00 0.49 H new ATOM 0 HB THR A 15 -12.851 9.551 -2.616 1.00 0.59 H new ATOM 0 HG1 THR A 15 -13.705 8.989 -4.715 1.00 1.15 H new ATOM 0 HG21 THR A 15 -12.074 10.691 -4.697 1.00 0.78 H new ATOM 0 HG22 THR A 15 -10.755 10.531 -3.513 1.00 0.78 H new ATOM 0 HG23 THR A 15 -10.834 9.433 -4.911 1.00 0.78 H new ATOM 216 N GLU A 16 -11.616 6.140 -1.023 1.00 0.48 N ATOM 217 CA GLU A 16 -12.205 5.306 0.021 1.00 0.51 C ATOM 218 C GLU A 16 -11.980 5.866 1.429 1.00 0.56 C ATOM 219 O GLU A 16 -11.766 5.132 2.391 1.00 0.61 O ATOM 220 CB GLU A 16 -11.615 3.898 -0.121 1.00 0.53 C ATOM 221 CG GLU A 16 -12.346 3.042 -1.163 1.00 0.58 C ATOM 222 CD GLU A 16 -12.282 3.613 -2.581 1.00 1.88 C ATOM 223 OE1 GLU A 16 -13.314 3.548 -3.282 1.00 2.75 O ATOM 224 OE2 GLU A 16 -11.197 4.104 -2.958 1.00 3.16 O ATOM 0 H GLU A 16 -10.729 5.767 -1.361 1.00 0.48 H new ATOM 0 HA GLU A 16 -13.287 5.285 -0.108 1.00 0.51 H new ATOM 0 HB2 GLU A 16 -10.564 3.977 -0.397 1.00 0.53 H new ATOM 0 HB3 GLU A 16 -11.653 3.395 0.845 1.00 0.53 H new ATOM 0 HG2 GLU A 16 -11.916 2.040 -1.164 1.00 0.58 H new ATOM 0 HG3 GLU A 16 -13.390 2.940 -0.869 1.00 0.58 H new ATOM 231 N GLY A 17 -12.032 7.186 1.584 1.00 0.62 N ATOM 232 CA GLY A 17 -11.837 7.846 2.864 1.00 0.73 C ATOM 233 C GLY A 17 -10.353 8.001 3.171 1.00 0.77 C ATOM 234 O GLY A 17 -9.919 9.098 3.524 1.00 0.94 O ATOM 0 H GLY A 17 -12.213 7.831 0.815 1.00 0.62 H new ATOM 0 HA2 GLY A 17 -12.314 8.826 2.850 1.00 0.73 H new ATOM 0 HA3 GLY A 17 -12.318 7.268 3.653 1.00 0.73 H new ATOM 238 N VAL A 18 -9.591 6.919 3.011 1.00 0.73 N ATOM 239 CA VAL A 18 -8.163 6.839 3.253 1.00 0.81 C ATOM 240 C VAL A 18 -7.541 6.108 2.077 1.00 0.71 C ATOM 241 O VAL A 18 -8.174 5.249 1.462 1.00 0.72 O ATOM 242 CB VAL A 18 -7.878 6.136 4.600 1.00 1.07 C ATOM 243 CG1 VAL A 18 -6.812 5.029 4.549 1.00 0.74 C ATOM 244 CG2 VAL A 18 -7.401 7.192 5.597 1.00 1.97 C ATOM 0 H VAL A 18 -9.980 6.032 2.692 1.00 0.73 H new ATOM 0 HA VAL A 18 -7.723 7.833 3.332 1.00 0.81 H new ATOM 0 HB VAL A 18 -8.812 5.652 4.887 1.00 1.07 H new ATOM 0 HG11 VAL A 18 -6.686 4.599 5.543 1.00 0.74 H new ATOM 0 HG12 VAL A 18 -7.128 4.251 3.854 1.00 0.74 H new ATOM 0 HG13 VAL A 18 -5.865 5.451 4.214 1.00 0.74 H new ATOM 0 HG21 VAL A 18 -7.193 6.719 6.557 1.00 1.97 H new ATOM 0 HG22 VAL A 18 -6.493 7.664 5.221 1.00 1.97 H new ATOM 0 HG23 VAL A 18 -8.176 7.948 5.725 1.00 1.97 H new ATOM 254 N ILE A 19 -6.283 6.445 1.803 1.00 0.67 N ATOM 255 CA ILE A 19 -5.503 5.908 0.712 1.00 0.63 C ATOM 256 C ILE A 19 -4.122 5.630 1.276 1.00 0.63 C ATOM 257 O ILE A 19 -3.585 6.466 2.002 1.00 0.70 O ATOM 258 CB ILE A 19 -5.426 6.920 -0.444 1.00 0.64 C ATOM 259 CG1 ILE A 19 -6.770 7.639 -0.637 1.00 0.84 C ATOM 260 CG2 ILE A 19 -5.000 6.169 -1.706 1.00 1.08 C ATOM 261 CD1 ILE A 19 -6.834 8.535 -1.880 1.00 1.28 C ATOM 0 H ILE A 19 -5.768 7.126 2.361 1.00 0.67 H new ATOM 0 HA ILE A 19 -5.953 5.001 0.310 1.00 0.63 H new ATOM 0 HB ILE A 19 -4.692 7.693 -0.217 1.00 0.64 H new ATOM 0 HG12 ILE A 19 -7.562 6.893 -0.700 1.00 0.84 H new ATOM 0 HG13 ILE A 19 -6.974 8.246 0.245 1.00 0.84 H new ATOM 0 HG21 ILE A 19 -4.938 6.867 -2.541 1.00 1.08 H new ATOM 0 HG22 ILE A 19 -4.025 5.709 -1.544 1.00 1.08 H new ATOM 0 HG23 ILE A 19 -5.733 5.395 -1.933 1.00 1.08 H new ATOM 0 HD11 ILE A 19 -7.816 9.004 -1.940 1.00 1.28 H new ATOM 0 HD12 ILE A 19 -6.067 9.307 -1.812 1.00 1.28 H new ATOM 0 HD13 ILE A 19 -6.664 7.932 -2.772 1.00 1.28 H new ATOM 273 N ILE A 20 -3.543 4.479 0.945 1.00 0.66 N ATOM 274 CA ILE A 20 -2.225 4.099 1.404 1.00 0.66 C ATOM 275 C ILE A 20 -1.370 3.962 0.160 1.00 0.64 C ATOM 276 O ILE A 20 -1.814 3.405 -0.841 1.00 0.73 O ATOM 277 CB ILE A 20 -2.255 2.787 2.213 1.00 0.80 C ATOM 278 CG1 ILE A 20 -3.294 2.761 3.350 1.00 0.87 C ATOM 279 CG2 ILE A 20 -0.883 2.556 2.852 1.00 0.96 C ATOM 280 CD1 ILE A 20 -4.687 2.372 2.864 1.00 0.75 C ATOM 0 H ILE A 20 -3.986 3.783 0.345 1.00 0.66 H new ATOM 0 HA ILE A 20 -1.820 4.850 2.082 1.00 0.66 H new ATOM 0 HB ILE A 20 -2.529 2.012 1.497 1.00 0.80 H new ATOM 0 HG12 ILE A 20 -2.971 2.056 4.116 1.00 0.87 H new ATOM 0 HG13 ILE A 20 -3.338 3.744 3.819 1.00 0.87 H new ATOM 0 HG21 ILE A 20 -0.900 1.629 3.425 1.00 0.96 H new ATOM 0 HG22 ILE A 20 -0.125 2.486 2.072 1.00 0.96 H new ATOM 0 HG23 ILE A 20 -0.646 3.388 3.515 1.00 0.96 H new ATOM 0 HD11 ILE A 20 -5.379 2.370 3.706 1.00 0.75 H new ATOM 0 HD12 ILE A 20 -5.026 3.091 2.118 1.00 0.75 H new ATOM 0 HD13 ILE A 20 -4.653 1.377 2.420 1.00 0.75 H new ATOM 292 N ASN A 21 -0.152 4.485 0.226 1.00 0.59 N ATOM 293 CA ASN A 21 0.810 4.405 -0.852 1.00 0.63 C ATOM 294 C ASN A 21 2.163 3.998 -0.275 1.00 0.60 C ATOM 295 O ASN A 21 2.379 4.080 0.938 1.00 0.65 O ATOM 296 CB ASN A 21 0.874 5.756 -1.578 1.00 0.68 C ATOM 297 CG ASN A 21 1.235 5.587 -3.046 1.00 1.09 C ATOM 298 OD1 ASN A 21 1.787 4.572 -3.452 1.00 2.05 O ATOM 299 ND2 ASN A 21 0.910 6.569 -3.873 1.00 1.62 N ATOM 0 H ASN A 21 0.195 4.983 1.046 1.00 0.59 H new ATOM 0 HA ASN A 21 0.514 3.653 -1.583 1.00 0.63 H new ATOM 0 HB2 ASN A 21 -0.089 6.260 -1.495 1.00 0.68 H new ATOM 0 HB3 ASN A 21 1.611 6.396 -1.093 1.00 0.68 H new ATOM 0 HD21 ASN A 21 1.119 6.488 -4.868 1.00 1.62 H new ATOM 0 HD22 ASN A 21 0.451 7.406 -3.515 1.00 1.62 H new ATOM 306 N ALA A 22 3.089 3.579 -1.137 1.00 0.63 N ATOM 307 CA ALA A 22 4.470 3.415 -0.735 1.00 0.68 C ATOM 308 C ALA A 22 5.037 4.758 -0.280 1.00 1.00 C ATOM 309 O ALA A 22 4.506 5.826 -0.574 1.00 2.06 O ATOM 310 CB ALA A 22 5.296 2.844 -1.892 1.00 1.06 C ATOM 0 H ALA A 22 2.901 3.350 -2.113 1.00 0.63 H new ATOM 0 HA ALA A 22 4.519 2.713 0.097 1.00 0.68 H new ATOM 0 HB1 ALA A 22 6.332 2.726 -1.576 1.00 1.06 H new ATOM 0 HB2 ALA A 22 4.893 1.874 -2.183 1.00 1.06 H new ATOM 0 HB3 ALA A 22 5.251 3.525 -2.742 1.00 1.06 H new ATOM 316 N ALA A 23 6.141 4.677 0.443 1.00 0.53 N ATOM 317 CA ALA A 23 6.836 5.816 1.016 1.00 0.87 C ATOM 318 C ALA A 23 8.312 5.498 1.192 1.00 0.75 C ATOM 319 O ALA A 23 9.187 6.301 0.874 1.00 0.92 O ATOM 320 CB ALA A 23 6.201 6.140 2.358 1.00 1.29 C ATOM 0 H ALA A 23 6.593 3.787 0.654 1.00 0.53 H new ATOM 0 HA ALA A 23 6.754 6.675 0.351 1.00 0.87 H new ATOM 0 HB1 ALA A 23 6.710 6.994 2.805 1.00 1.29 H new ATOM 0 HB2 ALA A 23 5.148 6.380 2.214 1.00 1.29 H new ATOM 0 HB3 ALA A 23 6.289 5.278 3.020 1.00 1.29 H new ATOM 326 N ASN A 24 8.596 4.299 1.700 1.00 0.59 N ATOM 327 CA ASN A 24 9.951 3.878 2.011 1.00 0.56 C ATOM 328 C ASN A 24 10.526 4.798 3.087 1.00 0.75 C ATOM 329 O ASN A 24 9.829 5.632 3.663 1.00 1.08 O ATOM 330 CB ASN A 24 10.810 3.864 0.735 1.00 0.64 C ATOM 331 CG ASN A 24 10.056 3.271 -0.451 1.00 1.05 C ATOM 332 OD1 ASN A 24 9.895 2.062 -0.540 1.00 1.36 O ATOM 333 ND2 ASN A 24 9.533 4.100 -1.348 1.00 1.84 N ATOM 0 H ASN A 24 7.887 3.595 1.906 1.00 0.59 H new ATOM 0 HA ASN A 24 9.949 2.861 2.402 1.00 0.56 H new ATOM 0 HB2 ASN A 24 11.121 4.881 0.496 1.00 0.64 H new ATOM 0 HB3 ASN A 24 11.717 3.287 0.914 1.00 0.64 H new ATOM 0 HD21 ASN A 24 8.987 3.731 -2.126 1.00 1.84 H new ATOM 0 HD22 ASN A 24 9.677 5.106 -1.258 1.00 1.84 H new ATOM 340 N SER A 25 11.832 4.702 3.315 1.00 0.69 N ATOM 341 CA SER A 25 12.520 5.602 4.230 1.00 0.94 C ATOM 342 C SER A 25 12.556 7.044 3.701 1.00 1.21 C ATOM 343 O SER A 25 13.071 7.917 4.390 1.00 1.40 O ATOM 344 CB SER A 25 13.936 5.063 4.458 1.00 0.95 C ATOM 345 OG SER A 25 14.563 5.616 5.596 1.00 2.22 O ATOM 0 H SER A 25 12.436 4.007 2.876 1.00 0.69 H new ATOM 0 HA SER A 25 11.976 5.638 5.174 1.00 0.94 H new ATOM 0 HB2 SER A 25 13.893 3.979 4.565 1.00 0.95 H new ATOM 0 HB3 SER A 25 14.544 5.272 3.578 1.00 0.95 H new ATOM 0 HG SER A 25 13.881 5.910 6.235 1.00 2.22 H new ATOM 351 N LYS A 26 12.032 7.324 2.500 1.00 1.39 N ATOM 352 CA LYS A 26 12.107 8.636 1.877 1.00 1.73 C ATOM 353 C LYS A 26 10.751 9.340 1.851 1.00 1.72 C ATOM 354 O LYS A 26 10.631 10.384 1.217 1.00 1.86 O ATOM 355 CB LYS A 26 12.612 8.486 0.439 1.00 1.78 C ATOM 356 CG LYS A 26 13.886 7.645 0.310 1.00 1.85 C ATOM 357 CD LYS A 26 14.413 7.765 -1.122 1.00 2.29 C ATOM 358 CE LYS A 26 15.466 6.691 -1.398 1.00 2.48 C ATOM 359 NZ LYS A 26 15.996 6.798 -2.775 1.00 3.24 N ATOM 0 H LYS A 26 11.540 6.632 1.934 1.00 1.39 H new ATOM 0 HA LYS A 26 12.792 9.242 2.470 1.00 1.73 H new ATOM 0 HB2 LYS A 26 11.827 8.032 -0.165 1.00 1.78 H new ATOM 0 HB3 LYS A 26 12.800 9.477 0.026 1.00 1.78 H new ATOM 0 HG2 LYS A 26 14.639 7.989 1.019 1.00 1.85 H new ATOM 0 HG3 LYS A 26 13.676 6.602 0.549 1.00 1.85 H new ATOM 0 HD2 LYS A 26 13.589 7.665 -1.828 1.00 2.29 H new ATOM 0 HD3 LYS A 26 14.845 8.754 -1.275 1.00 2.29 H new ATOM 0 HE2 LYS A 26 16.283 6.788 -0.683 1.00 2.48 H new ATOM 0 HE3 LYS A 26 15.029 5.704 -1.250 1.00 2.48 H new ATOM 0 HZ1 LYS A 26 16.708 6.056 -2.932 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 15.219 6.681 -3.456 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 16.434 7.732 -2.907 1.00 3.24 H new ATOM 373 N GLY A 27 9.707 8.753 2.444 1.00 1.63 N ATOM 374 CA GLY A 27 8.408 9.408 2.496 1.00 1.73 C ATOM 375 C GLY A 27 7.794 9.623 1.115 1.00 1.70 C ATOM 376 O GLY A 27 6.905 10.461 0.973 1.00 1.83 O ATOM 0 H GLY A 27 9.740 7.836 2.889 1.00 1.63 H new ATOM 0 HA2 GLY A 27 7.728 8.808 3.101 1.00 1.73 H new ATOM 0 HA3 GLY A 27 8.512 10.371 2.995 1.00 1.73 H new ATOM 380 N GLN A 28 8.249 8.882 0.100 1.00 1.58 N ATOM 381 CA GLN A 28 7.864 9.083 -1.281 1.00 1.56 C ATOM 382 C GLN A 28 7.560 7.725 -1.902 1.00 1.28 C ATOM 383 O GLN A 28 8.403 6.824 -1.859 1.00 1.24 O ATOM 384 CB GLN A 28 9.009 9.781 -2.026 1.00 1.82 C ATOM 385 CG GLN A 28 8.693 9.921 -3.520 1.00 1.58 C ATOM 386 CD GLN A 28 9.703 10.830 -4.210 1.00 1.99 C ATOM 387 OE1 GLN A 28 10.766 10.385 -4.627 1.00 1.87 O ATOM 388 NE2 GLN A 28 9.400 12.115 -4.348 1.00 3.48 N ATOM 0 H GLN A 28 8.907 8.114 0.228 1.00 1.58 H new ATOM 0 HA GLN A 28 6.976 9.711 -1.347 1.00 1.56 H new ATOM 0 HB2 GLN A 28 9.180 10.767 -1.594 1.00 1.82 H new ATOM 0 HB3 GLN A 28 9.930 9.212 -1.898 1.00 1.82 H new ATOM 0 HG2 GLN A 28 8.702 8.938 -3.991 1.00 1.58 H new ATOM 0 HG3 GLN A 28 7.689 10.325 -3.646 1.00 1.58 H new ATOM 0 HE21 GLN A 28 8.511 12.470 -3.996 1.00 3.48 H new ATOM 0 HE22 GLN A 28 10.056 12.747 -4.807 1.00 3.48 H new ATOM 397 N PRO A 29 6.370 7.555 -2.489 1.00 1.16 N ATOM 398 CA PRO A 29 6.054 6.338 -3.196 1.00 0.95 C ATOM 399 C PRO A 29 6.974 6.176 -4.395 1.00 1.10 C ATOM 400 O PRO A 29 7.345 7.153 -5.044 1.00 1.51 O ATOM 401 CB PRO A 29 4.587 6.436 -3.612 1.00 0.90 C ATOM 402 CG PRO A 29 4.185 7.893 -3.384 1.00 1.23 C ATOM 403 CD PRO A 29 5.244 8.466 -2.447 1.00 1.35 C ATOM 0 HA PRO A 29 6.203 5.459 -2.569 1.00 0.95 H new ATOM 0 HB2 PRO A 29 4.457 6.154 -4.657 1.00 0.90 H new ATOM 0 HB3 PRO A 29 3.967 5.762 -3.020 1.00 0.90 H new ATOM 0 HG2 PRO A 29 4.154 8.443 -4.324 1.00 1.23 H new ATOM 0 HG3 PRO A 29 3.191 7.961 -2.942 1.00 1.23 H new ATOM 0 HD2 PRO A 29 5.542 9.465 -2.764 1.00 1.35 H new ATOM 0 HD3 PRO A 29 4.856 8.556 -1.432 1.00 1.35 H new ATOM 411 N GLY A 30 7.319 4.920 -4.684 1.00 0.96 N ATOM 412 CA GLY A 30 8.111 4.576 -5.856 1.00 1.15 C ATOM 413 C GLY A 30 7.574 5.250 -7.123 1.00 1.77 C ATOM 414 O GLY A 30 6.366 5.454 -7.274 1.00 2.57 O ATOM 0 H GLY A 30 7.056 4.118 -4.111 1.00 0.96 H new ATOM 0 HA2 GLY A 30 9.147 4.876 -5.696 1.00 1.15 H new ATOM 0 HA3 GLY A 30 8.110 3.494 -5.991 1.00 1.15 H new ATOM 418 N GLY A 31 8.492 5.606 -8.027 1.00 1.79 N ATOM 419 CA GLY A 31 8.184 6.330 -9.250 1.00 2.55 C ATOM 420 C GLY A 31 7.074 5.635 -10.029 1.00 1.21 C ATOM 421 O GLY A 31 7.131 4.429 -10.256 1.00 1.90 O ATOM 0 H GLY A 31 9.484 5.393 -7.922 1.00 1.79 H new ATOM 0 HA2 GLY A 31 7.881 7.349 -9.008 1.00 2.55 H new ATOM 0 HA3 GLY A 31 9.078 6.402 -9.869 1.00 2.55 H new ATOM 425 N GLY A 32 6.056 6.399 -10.425 1.00 1.06 N ATOM 426 CA GLY A 32 4.862 5.874 -11.058 1.00 1.47 C ATOM 427 C GLY A 32 3.661 6.540 -10.410 1.00 1.35 C ATOM 428 O GLY A 32 3.261 7.631 -10.807 1.00 1.39 O ATOM 0 H GLY A 32 6.044 7.412 -10.310 1.00 1.06 H new ATOM 0 HA2 GLY A 32 4.878 6.075 -12.129 1.00 1.47 H new ATOM 0 HA3 GLY A 32 4.810 4.792 -10.937 1.00 1.47 H new ATOM 432 N VAL A 33 3.114 5.914 -9.368 1.00 1.29 N ATOM 433 CA VAL A 33 1.933 6.418 -8.679 1.00 1.26 C ATOM 434 C VAL A 33 2.184 7.765 -8.007 1.00 1.15 C ATOM 435 O VAL A 33 1.270 8.585 -7.940 1.00 1.07 O ATOM 436 CB VAL A 33 1.393 5.367 -7.697 1.00 1.35 C ATOM 437 CG1 VAL A 33 0.930 4.117 -8.452 1.00 2.09 C ATOM 438 CG2 VAL A 33 2.433 4.956 -6.647 1.00 2.09 C ATOM 0 H VAL A 33 3.479 5.044 -8.980 1.00 1.29 H new ATOM 0 HA VAL A 33 1.163 6.600 -9.429 1.00 1.26 H new ATOM 0 HB VAL A 33 0.552 5.829 -7.180 1.00 1.35 H new ATOM 0 HG11 VAL A 33 0.550 3.383 -7.742 1.00 2.09 H new ATOM 0 HG12 VAL A 33 0.139 4.387 -9.152 1.00 2.09 H new ATOM 0 HG13 VAL A 33 1.770 3.691 -9.000 1.00 2.09 H new ATOM 0 HG21 VAL A 33 2.000 4.212 -5.978 1.00 2.09 H new ATOM 0 HG22 VAL A 33 3.305 4.533 -7.145 1.00 2.09 H new ATOM 0 HG23 VAL A 33 2.733 5.831 -6.070 1.00 2.09 H new ATOM 448 N CYS A 34 3.418 8.038 -7.561 1.00 1.21 N ATOM 449 CA CYS A 34 3.789 9.353 -7.061 1.00 1.23 C ATOM 450 C CYS A 34 3.416 10.463 -8.055 1.00 1.20 C ATOM 451 O CYS A 34 3.096 11.572 -7.648 1.00 1.18 O ATOM 452 CB CYS A 34 5.293 9.346 -6.765 1.00 1.40 C ATOM 453 SG CYS A 34 5.731 10.745 -5.706 1.00 1.95 S ATOM 0 H CYS A 34 4.175 7.355 -7.540 1.00 1.21 H new ATOM 0 HA CYS A 34 3.235 9.566 -6.147 1.00 1.23 H new ATOM 0 HB2 CYS A 34 5.570 8.411 -6.277 1.00 1.40 H new ATOM 0 HB3 CYS A 34 5.854 9.398 -7.698 1.00 1.40 H new ATOM 0 HG CYS A 34 4.928 11.739 -5.945 1.00 1.95 H new ATOM 459 N GLY A 35 3.446 10.175 -9.359 1.00 1.27 N ATOM 460 CA GLY A 35 3.206 11.165 -10.396 1.00 1.30 C ATOM 461 C GLY A 35 1.743 11.596 -10.428 1.00 1.12 C ATOM 462 O GLY A 35 1.441 12.783 -10.330 1.00 1.18 O ATOM 0 H GLY A 35 3.639 9.241 -9.720 1.00 1.27 H new ATOM 0 HA2 GLY A 35 3.839 12.035 -10.224 1.00 1.30 H new ATOM 0 HA3 GLY A 35 3.487 10.754 -11.366 1.00 1.30 H new ATOM 466 N ALA A 36 0.821 10.641 -10.572 1.00 0.98 N ATOM 467 CA ALA A 36 -0.604 10.953 -10.602 1.00 0.84 C ATOM 468 C ALA A 36 -1.004 11.608 -9.292 1.00 0.76 C ATOM 469 O ALA A 36 -1.688 12.633 -9.274 1.00 0.74 O ATOM 470 CB ALA A 36 -1.419 9.677 -10.829 1.00 0.82 C ATOM 0 H ALA A 36 1.038 9.649 -10.669 1.00 0.98 H new ATOM 0 HA ALA A 36 -0.806 11.641 -11.423 1.00 0.84 H new ATOM 0 HB1 ALA A 36 -2.481 9.922 -10.849 1.00 0.82 H new ATOM 0 HB2 ALA A 36 -1.132 9.226 -11.779 1.00 0.82 H new ATOM 0 HB3 ALA A 36 -1.225 8.973 -10.020 1.00 0.82 H new ATOM 476 N LEU A 37 -0.547 11.023 -8.189 1.00 0.74 N ATOM 477 CA LEU A 37 -0.873 11.525 -6.875 1.00 0.69 C ATOM 478 C LEU A 37 -0.413 12.959 -6.694 1.00 0.76 C ATOM 479 O LEU A 37 -1.157 13.763 -6.162 1.00 0.80 O ATOM 480 CB LEU A 37 -0.263 10.616 -5.817 1.00 0.71 C ATOM 481 CG LEU A 37 -0.613 11.090 -4.401 1.00 0.67 C ATOM 482 CD1 LEU A 37 -2.128 11.157 -4.196 1.00 0.86 C ATOM 483 CD2 LEU A 37 -0.023 10.064 -3.437 1.00 0.70 C ATOM 0 H LEU A 37 0.052 10.198 -8.188 1.00 0.74 H new ATOM 0 HA LEU A 37 -1.957 11.524 -6.763 1.00 0.69 H new ATOM 0 HB2 LEU A 37 -0.622 9.597 -5.960 1.00 0.71 H new ATOM 0 HB3 LEU A 37 0.820 10.592 -5.937 1.00 0.71 H new ATOM 0 HG LEU A 37 -0.213 12.090 -4.233 1.00 0.67 H new ATOM 0 HD11 LEU A 37 -2.343 11.496 -3.183 1.00 0.86 H new ATOM 0 HD12 LEU A 37 -2.562 11.855 -4.912 1.00 0.86 H new ATOM 0 HD13 LEU A 37 -2.560 10.168 -4.347 1.00 0.86 H new ATOM 0 HD21 LEU A 37 -0.246 10.358 -2.411 1.00 0.70 H new ATOM 0 HD22 LEU A 37 -0.458 9.085 -3.637 1.00 0.70 H new ATOM 0 HD23 LEU A 37 1.057 10.016 -3.574 1.00 0.70 H new ATOM 495 N TYR A 38 0.787 13.300 -7.142 1.00 0.84 N ATOM 496 CA TYR A 38 1.279 14.667 -7.108 1.00 0.94 C ATOM 497 C TYR A 38 0.438 15.571 -8.007 1.00 0.97 C ATOM 498 O TYR A 38 0.206 16.732 -7.687 1.00 1.05 O ATOM 499 CB TYR A 38 2.731 14.626 -7.572 1.00 1.07 C ATOM 500 CG TYR A 38 3.421 15.953 -7.810 1.00 1.26 C ATOM 501 CD1 TYR A 38 3.859 16.290 -9.106 1.00 2.49 C ATOM 502 CD2 TYR A 38 3.683 16.820 -6.735 1.00 2.37 C ATOM 503 CE1 TYR A 38 4.570 17.482 -9.327 1.00 2.75 C ATOM 504 CE2 TYR A 38 4.394 18.014 -6.946 1.00 2.65 C ATOM 505 CZ TYR A 38 4.847 18.347 -8.243 1.00 2.09 C ATOM 506 OH TYR A 38 5.553 19.497 -8.435 1.00 2.58 O ATOM 0 H TYR A 38 1.448 12.633 -7.540 1.00 0.84 H new ATOM 0 HA TYR A 38 1.210 15.080 -6.102 1.00 0.94 H new ATOM 0 HB2 TYR A 38 3.307 14.074 -6.829 1.00 1.07 H new ATOM 0 HB3 TYR A 38 2.773 14.053 -8.498 1.00 1.07 H new ATOM 0 HD1 TYR A 38 3.647 15.629 -9.934 1.00 2.49 H new ATOM 0 HD2 TYR A 38 3.337 16.568 -5.744 1.00 2.37 H new ATOM 0 HE1 TYR A 38 4.904 17.737 -10.322 1.00 2.75 H new ATOM 0 HE2 TYR A 38 4.594 18.677 -6.117 1.00 2.65 H new ATOM 0 HH TYR A 38 5.648 19.969 -7.581 1.00 2.58 H new ATOM 516 N LYS A 39 -0.024 15.055 -9.149 1.00 0.95 N ATOM 517 CA LYS A 39 -0.697 15.864 -10.150 1.00 1.04 C ATOM 518 C LYS A 39 -2.080 16.273 -9.658 1.00 1.02 C ATOM 519 O LYS A 39 -2.614 17.296 -10.082 1.00 1.16 O ATOM 520 CB LYS A 39 -0.746 15.080 -11.468 1.00 1.09 C ATOM 521 CG LYS A 39 -1.245 15.966 -12.610 1.00 1.26 C ATOM 522 CD LYS A 39 -0.992 15.300 -13.967 1.00 1.47 C ATOM 523 CE LYS A 39 -1.466 16.229 -15.089 1.00 1.81 C ATOM 524 NZ LYS A 39 -1.122 15.701 -16.427 1.00 2.30 N ATOM 0 H LYS A 39 0.061 14.070 -9.398 1.00 0.95 H new ATOM 0 HA LYS A 39 -0.147 16.788 -10.327 1.00 1.04 H new ATOM 0 HB2 LYS A 39 0.247 14.698 -11.706 1.00 1.09 H new ATOM 0 HB3 LYS A 39 -1.402 14.217 -11.358 1.00 1.09 H new ATOM 0 HG2 LYS A 39 -2.311 16.159 -12.488 1.00 1.26 H new ATOM 0 HG3 LYS A 39 -0.740 16.932 -12.574 1.00 1.26 H new ATOM 0 HD2 LYS A 39 0.070 15.082 -14.085 1.00 1.47 H new ATOM 0 HD3 LYS A 39 -1.520 14.348 -14.021 1.00 1.47 H new ATOM 0 HE2 LYS A 39 -2.546 16.362 -15.018 1.00 1.81 H new ATOM 0 HE3 LYS A 39 -1.015 17.213 -14.960 1.00 1.81 H new ATOM 0 HZ1 LYS A 39 -1.460 16.359 -17.158 1.00 2.30 H new ATOM 0 HZ2 LYS A 39 -0.090 15.598 -16.505 1.00 2.30 H new ATOM 0 HZ3 LYS A 39 -1.573 14.774 -16.561 1.00 2.30 H new ATOM 538 N LYS A 40 -2.682 15.460 -8.790 1.00 0.88 N ATOM 539 CA LYS A 40 -4.023 15.708 -8.271 1.00 0.86 C ATOM 540 C LYS A 40 -4.007 16.183 -6.817 1.00 0.87 C ATOM 541 O LYS A 40 -4.903 16.913 -6.407 1.00 0.99 O ATOM 542 CB LYS A 40 -4.818 14.415 -8.460 1.00 0.74 C ATOM 543 CG LYS A 40 -6.330 14.528 -8.198 1.00 0.82 C ATOM 544 CD LYS A 40 -7.133 14.946 -9.430 1.00 1.10 C ATOM 545 CE LYS A 40 -6.627 16.265 -10.019 1.00 1.74 C ATOM 546 NZ LYS A 40 -7.515 16.760 -11.092 1.00 2.40 N ATOM 0 H LYS A 40 -2.251 14.610 -8.427 1.00 0.88 H new ATOM 0 HA LYS A 40 -4.497 16.524 -8.817 1.00 0.86 H new ATOM 0 HB2 LYS A 40 -4.668 14.062 -9.480 1.00 0.74 H new ATOM 0 HB3 LYS A 40 -4.407 13.655 -7.796 1.00 0.74 H new ATOM 0 HG2 LYS A 40 -6.702 13.568 -7.841 1.00 0.82 H new ATOM 0 HG3 LYS A 40 -6.499 15.252 -7.401 1.00 0.82 H new ATOM 0 HD2 LYS A 40 -7.072 14.163 -10.186 1.00 1.10 H new ATOM 0 HD3 LYS A 40 -8.184 15.048 -9.161 1.00 1.10 H new ATOM 0 HE2 LYS A 40 -6.558 17.013 -9.230 1.00 1.74 H new ATOM 0 HE3 LYS A 40 -5.621 16.125 -10.415 1.00 1.74 H new ATOM 0 HZ1 LYS A 40 -7.141 17.655 -11.467 1.00 2.40 H new ATOM 0 HZ2 LYS A 40 -7.561 16.056 -11.857 1.00 2.40 H new ATOM 0 HZ3 LYS A 40 -8.469 16.917 -10.708 1.00 2.40 H new ATOM 560 N PHE A 41 -2.999 15.773 -6.055 1.00 0.83 N ATOM 561 CA PHE A 41 -2.864 16.038 -4.621 1.00 0.96 C ATOM 562 C PHE A 41 -1.399 16.367 -4.293 1.00 0.79 C ATOM 563 O PHE A 41 -0.732 15.601 -3.591 1.00 0.84 O ATOM 564 CB PHE A 41 -3.294 14.822 -3.767 1.00 1.29 C ATOM 565 CG PHE A 41 -4.635 14.169 -4.049 1.00 0.67 C ATOM 566 CD1 PHE A 41 -4.780 13.344 -5.174 1.00 0.75 C ATOM 567 CD2 PHE A 41 -5.698 14.265 -3.133 1.00 1.37 C ATOM 568 CE1 PHE A 41 -5.986 12.671 -5.418 1.00 0.65 C ATOM 569 CE2 PHE A 41 -6.915 13.606 -3.384 1.00 2.05 C ATOM 570 CZ PHE A 41 -7.063 12.808 -4.529 1.00 1.62 C ATOM 0 H PHE A 41 -2.223 15.227 -6.429 1.00 0.83 H new ATOM 0 HA PHE A 41 -3.515 16.879 -4.382 1.00 0.96 H new ATOM 0 HB2 PHE A 41 -2.525 14.056 -3.872 1.00 1.29 H new ATOM 0 HB3 PHE A 41 -3.292 15.135 -2.723 1.00 1.29 H new ATOM 0 HD1 PHE A 41 -3.954 13.226 -5.860 1.00 0.75 H new ATOM 0 HD2 PHE A 41 -5.579 14.848 -2.232 1.00 1.37 H new ATOM 0 HE1 PHE A 41 -6.086 12.045 -6.293 1.00 0.65 H new ATOM 0 HE2 PHE A 41 -7.738 13.714 -2.693 1.00 2.05 H new ATOM 0 HZ PHE A 41 -7.998 12.304 -4.724 1.00 1.62 H new ATOM 580 N PRO A 42 -0.864 17.505 -4.749 1.00 0.82 N ATOM 581 CA PRO A 42 0.554 17.808 -4.615 1.00 0.95 C ATOM 582 C PRO A 42 1.029 17.903 -3.161 1.00 1.07 C ATOM 583 O PRO A 42 2.229 17.869 -2.908 1.00 1.33 O ATOM 584 CB PRO A 42 0.782 19.107 -5.396 1.00 1.18 C ATOM 585 CG PRO A 42 -0.607 19.736 -5.491 1.00 1.23 C ATOM 586 CD PRO A 42 -1.552 18.535 -5.503 1.00 1.01 C ATOM 0 HA PRO A 42 1.153 16.992 -5.019 1.00 0.95 H new ATOM 0 HB2 PRO A 42 1.482 19.764 -4.880 1.00 1.18 H new ATOM 0 HB3 PRO A 42 1.198 18.910 -6.384 1.00 1.18 H new ATOM 0 HG2 PRO A 42 -0.807 20.394 -4.645 1.00 1.23 H new ATOM 0 HG3 PRO A 42 -0.713 20.337 -6.394 1.00 1.23 H new ATOM 0 HD2 PRO A 42 -2.511 18.783 -5.047 1.00 1.01 H new ATOM 0 HD3 PRO A 42 -1.759 18.206 -6.521 1.00 1.01 H new ATOM 594 N GLU A 43 0.127 17.988 -2.182 1.00 1.09 N ATOM 595 CA GLU A 43 0.496 18.158 -0.791 1.00 1.41 C ATOM 596 C GLU A 43 1.004 16.845 -0.212 1.00 1.50 C ATOM 597 O GLU A 43 1.727 16.842 0.780 1.00 1.93 O ATOM 598 CB GLU A 43 -0.718 18.627 0.009 1.00 1.61 C ATOM 599 CG GLU A 43 -1.193 20.026 -0.392 1.00 1.65 C ATOM 600 CD GLU A 43 -1.947 20.033 -1.725 1.00 2.24 C ATOM 601 OE1 GLU A 43 -2.565 18.988 -2.040 1.00 3.47 O ATOM 602 OE2 GLU A 43 -1.884 21.070 -2.416 1.00 3.02 O ATOM 0 H GLU A 43 -0.880 17.940 -2.340 1.00 1.09 H new ATOM 0 HA GLU A 43 1.289 18.903 -0.729 1.00 1.41 H new ATOM 0 HB2 GLU A 43 -1.534 17.918 -0.130 1.00 1.61 H new ATOM 0 HB3 GLU A 43 -0.470 18.623 1.071 1.00 1.61 H new ATOM 0 HG2 GLU A 43 -1.841 20.424 0.389 1.00 1.65 H new ATOM 0 HG3 GLU A 43 -0.333 20.691 -0.462 1.00 1.65 H new ATOM 609 N SER A 44 0.632 15.715 -0.817 1.00 1.17 N ATOM 610 CA SER A 44 1.104 14.424 -0.344 1.00 1.26 C ATOM 611 C SER A 44 2.533 14.127 -0.813 1.00 1.33 C ATOM 612 O SER A 44 3.083 13.071 -0.502 1.00 1.53 O ATOM 613 CB SER A 44 0.119 13.332 -0.750 1.00 1.31 C ATOM 614 OG SER A 44 0.034 13.206 -2.149 1.00 2.32 O ATOM 0 H SER A 44 0.012 15.673 -1.626 1.00 1.17 H new ATOM 0 HA SER A 44 1.150 14.450 0.745 1.00 1.26 H new ATOM 0 HB2 SER A 44 0.430 12.381 -0.317 1.00 1.31 H new ATOM 0 HB3 SER A 44 -0.866 13.561 -0.344 1.00 1.31 H new ATOM 0 HG SER A 44 -0.338 14.029 -2.530 1.00 2.32 H new ATOM 620 N PHE A 45 3.168 15.073 -1.512 1.00 1.36 N ATOM 621 CA PHE A 45 4.584 15.080 -1.837 1.00 1.52 C ATOM 622 C PHE A 45 5.333 15.553 -0.590 1.00 1.38 C ATOM 623 O PHE A 45 6.039 16.555 -0.602 1.00 1.80 O ATOM 624 CB PHE A 45 4.731 16.014 -3.054 1.00 2.11 C ATOM 625 CG PHE A 45 5.813 15.694 -4.061 1.00 2.68 C ATOM 626 CD1 PHE A 45 5.741 14.502 -4.805 1.00 3.03 C ATOM 627 CD2 PHE A 45 6.804 16.647 -4.364 1.00 3.74 C ATOM 628 CE1 PHE A 45 6.658 14.261 -5.842 1.00 4.18 C ATOM 629 CE2 PHE A 45 7.726 16.401 -5.396 1.00 4.61 C ATOM 630 CZ PHE A 45 7.652 15.210 -6.137 1.00 4.76 C ATOM 0 H PHE A 45 2.680 15.889 -1.880 1.00 1.36 H new ATOM 0 HA PHE A 45 5.000 14.108 -2.103 1.00 1.52 H new ATOM 0 HB2 PHE A 45 3.777 16.030 -3.581 1.00 2.11 H new ATOM 0 HB3 PHE A 45 4.907 17.023 -2.682 1.00 2.11 H new ATOM 0 HD1 PHE A 45 4.979 13.771 -4.579 1.00 3.03 H new ATOM 0 HD2 PHE A 45 6.856 17.568 -3.803 1.00 3.74 H new ATOM 0 HE1 PHE A 45 6.599 13.346 -6.413 1.00 4.18 H new ATOM 0 HE2 PHE A 45 8.492 17.129 -5.619 1.00 4.61 H new ATOM 0 HZ PHE A 45 8.358 15.024 -6.933 1.00 4.76 H new ATOM 640 N ASP A 46 5.142 14.806 0.499 1.00 1.16 N ATOM 641 CA ASP A 46 5.694 15.010 1.817 1.00 1.51 C ATOM 642 C ASP A 46 7.182 14.720 1.736 1.00 1.62 C ATOM 643 O ASP A 46 8.003 15.500 2.207 1.00 2.43 O ATOM 644 CB ASP A 46 4.945 14.026 2.725 1.00 1.86 C ATOM 645 CG ASP A 46 5.537 13.843 4.112 1.00 2.70 C ATOM 646 OD1 ASP A 46 6.062 14.817 4.685 1.00 3.40 O ATOM 647 OD2 ASP A 46 5.433 12.705 4.621 1.00 3.48 O ATOM 0 H ASP A 46 4.547 13.978 0.467 1.00 1.16 H new ATOM 0 HA ASP A 46 5.580 16.022 2.206 1.00 1.51 H new ATOM 0 HB2 ASP A 46 3.915 14.366 2.830 1.00 1.86 H new ATOM 0 HB3 ASP A 46 4.912 13.055 2.231 1.00 1.86 H new ATOM 652 N LEU A 47 7.513 13.605 1.071 1.00 1.12 N ATOM 653 CA LEU A 47 8.868 13.126 0.802 1.00 1.19 C ATOM 654 C LEU A 47 9.847 13.343 1.963 1.00 1.16 C ATOM 655 O LEU A 47 11.047 13.519 1.758 1.00 1.28 O ATOM 656 CB LEU A 47 9.346 13.616 -0.573 1.00 1.32 C ATOM 657 CG LEU A 47 9.300 15.133 -0.833 1.00 1.91 C ATOM 658 CD1 LEU A 47 10.560 15.861 -0.366 1.00 2.57 C ATOM 659 CD2 LEU A 47 9.113 15.334 -2.335 1.00 2.20 C ATOM 0 H LEU A 47 6.802 12.982 0.687 1.00 1.12 H new ATOM 0 HA LEU A 47 8.837 12.038 0.739 1.00 1.19 H new ATOM 0 HB2 LEU A 47 10.373 13.280 -0.713 1.00 1.32 H new ATOM 0 HB3 LEU A 47 8.743 13.124 -1.336 1.00 1.32 H new ATOM 0 HG LEU A 47 8.476 15.558 -0.260 1.00 1.91 H new ATOM 0 HD11 LEU A 47 10.464 16.926 -0.578 1.00 2.57 H new ATOM 0 HD12 LEU A 47 10.689 15.714 0.706 1.00 2.57 H new ATOM 0 HD13 LEU A 47 11.427 15.463 -0.893 1.00 2.57 H new ATOM 0 HD21 LEU A 47 9.076 16.400 -2.558 1.00 2.20 H new ATOM 0 HD22 LEU A 47 9.948 14.881 -2.869 1.00 2.20 H new ATOM 0 HD23 LEU A 47 8.182 14.865 -2.652 1.00 2.20 H new ATOM 671 N GLN A 48 9.340 13.278 3.197 1.00 1.08 N ATOM 672 CA GLN A 48 10.188 13.399 4.378 1.00 1.11 C ATOM 673 C GLN A 48 10.910 12.072 4.615 1.00 1.08 C ATOM 674 O GLN A 48 10.395 11.019 4.250 1.00 1.06 O ATOM 675 CB GLN A 48 9.353 13.798 5.610 1.00 1.15 C ATOM 676 CG GLN A 48 8.455 12.668 6.138 1.00 2.69 C ATOM 677 CD GLN A 48 7.693 13.080 7.395 1.00 3.01 C ATOM 678 OE1 GLN A 48 8.274 13.269 8.459 1.00 3.18 O ATOM 679 NE2 GLN A 48 6.376 13.191 7.323 1.00 3.97 N ATOM 0 H GLN A 48 8.350 13.143 3.400 1.00 1.08 H new ATOM 0 HA GLN A 48 10.926 14.184 4.213 1.00 1.11 H new ATOM 0 HB2 GLN A 48 10.025 14.118 6.406 1.00 1.15 H new ATOM 0 HB3 GLN A 48 8.731 14.656 5.354 1.00 1.15 H new ATOM 0 HG2 GLN A 48 7.745 12.377 5.363 1.00 2.69 H new ATOM 0 HG3 GLN A 48 9.066 11.792 6.356 1.00 2.69 H new ATOM 0 HE21 GLN A 48 5.899 13.033 6.436 1.00 3.97 H new ATOM 0 HE22 GLN A 48 5.839 13.435 8.155 1.00 3.97 H new ATOM 688 N PRO A 49 12.067 12.065 5.285 1.00 1.12 N ATOM 689 CA PRO A 49 12.651 10.819 5.743 1.00 1.11 C ATOM 690 C PRO A 49 11.742 10.191 6.808 1.00 1.03 C ATOM 691 O PRO A 49 11.206 10.901 7.657 1.00 1.07 O ATOM 692 CB PRO A 49 14.030 11.200 6.286 1.00 1.21 C ATOM 693 CG PRO A 49 13.851 12.654 6.721 1.00 1.23 C ATOM 694 CD PRO A 49 12.852 13.209 5.705 1.00 1.20 C ATOM 0 HA PRO A 49 12.752 10.070 4.957 1.00 1.11 H new ATOM 0 HB2 PRO A 49 14.322 10.564 7.121 1.00 1.21 H new ATOM 0 HB3 PRO A 49 14.803 11.101 5.524 1.00 1.21 H new ATOM 0 HG2 PRO A 49 13.469 12.724 7.739 1.00 1.23 H new ATOM 0 HG3 PRO A 49 14.794 13.200 6.696 1.00 1.23 H new ATOM 0 HD2 PRO A 49 12.221 13.978 6.152 1.00 1.20 H new ATOM 0 HD3 PRO A 49 13.364 13.668 4.859 1.00 1.20 H new ATOM 702 N ILE A 50 11.566 8.867 6.783 1.00 1.01 N ATOM 703 CA ILE A 50 10.756 8.115 7.725 1.00 0.96 C ATOM 704 C ILE A 50 11.623 6.962 8.223 1.00 0.93 C ATOM 705 O ILE A 50 12.578 6.564 7.549 1.00 0.92 O ATOM 706 CB ILE A 50 9.462 7.617 7.043 1.00 0.95 C ATOM 707 CG1 ILE A 50 8.677 8.818 6.480 1.00 1.05 C ATOM 708 CG2 ILE A 50 8.599 6.829 8.026 1.00 0.95 C ATOM 709 CD1 ILE A 50 7.373 8.433 5.780 1.00 1.07 C ATOM 0 H ILE A 50 12.003 8.274 6.077 1.00 1.01 H new ATOM 0 HA ILE A 50 10.438 8.732 8.566 1.00 0.96 H new ATOM 0 HB ILE A 50 9.732 6.951 6.224 1.00 0.95 H new ATOM 0 HG12 ILE A 50 8.451 9.506 7.295 1.00 1.05 H new ATOM 0 HG13 ILE A 50 9.311 9.356 5.775 1.00 1.05 H new ATOM 0 HG21 ILE A 50 7.694 6.489 7.524 1.00 0.95 H new ATOM 0 HG22 ILE A 50 9.158 5.967 8.391 1.00 0.95 H new ATOM 0 HG23 ILE A 50 8.329 7.468 8.867 1.00 0.95 H new ATOM 0 HD11 ILE A 50 6.879 9.332 5.411 1.00 1.07 H new ATOM 0 HD12 ILE A 50 7.591 7.770 4.943 1.00 1.07 H new ATOM 0 HD13 ILE A 50 6.718 7.922 6.486 1.00 1.07 H new ATOM 721 N GLU A 51 11.272 6.405 9.383 1.00 0.93 N ATOM 722 CA GLU A 51 11.851 5.184 9.888 1.00 0.86 C ATOM 723 C GLU A 51 11.743 4.065 8.851 1.00 0.71 C ATOM 724 O GLU A 51 10.886 4.059 7.970 1.00 0.89 O ATOM 725 CB GLU A 51 11.097 4.773 11.160 1.00 0.85 C ATOM 726 CG GLU A 51 11.715 5.335 12.446 1.00 1.44 C ATOM 727 CD GLU A 51 11.487 6.839 12.585 1.00 1.86 C ATOM 728 OE1 GLU A 51 12.435 7.601 12.304 1.00 2.73 O ATOM 729 OE2 GLU A 51 10.344 7.226 12.936 1.00 2.95 O ATOM 0 H GLU A 51 10.565 6.805 9.999 1.00 0.93 H new ATOM 0 HA GLU A 51 12.906 5.352 10.106 1.00 0.86 H new ATOM 0 HB2 GLU A 51 10.063 5.111 11.085 1.00 0.85 H new ATOM 0 HB3 GLU A 51 11.073 3.685 11.223 1.00 0.85 H new ATOM 0 HG2 GLU A 51 11.286 4.823 13.307 1.00 1.44 H new ATOM 0 HG3 GLU A 51 12.785 5.129 12.453 1.00 1.44 H new ATOM 736 N VAL A 52 12.594 3.061 9.021 1.00 0.62 N ATOM 737 CA VAL A 52 12.544 1.825 8.276 1.00 0.60 C ATOM 738 C VAL A 52 11.873 0.848 9.234 1.00 0.73 C ATOM 739 O VAL A 52 12.440 0.517 10.272 1.00 0.94 O ATOM 740 CB VAL A 52 13.964 1.381 7.908 1.00 0.66 C ATOM 741 CG1 VAL A 52 13.928 0.231 6.898 1.00 0.83 C ATOM 742 CG2 VAL A 52 14.763 2.537 7.297 1.00 0.98 C ATOM 0 H VAL A 52 13.355 3.092 9.700 1.00 0.62 H new ATOM 0 HA VAL A 52 12.001 1.903 7.334 1.00 0.60 H new ATOM 0 HB VAL A 52 14.446 1.052 8.828 1.00 0.66 H new ATOM 0 HG11 VAL A 52 14.947 -0.068 6.651 1.00 0.83 H new ATOM 0 HG12 VAL A 52 13.396 -0.616 7.330 1.00 0.83 H new ATOM 0 HG13 VAL A 52 13.416 0.558 5.993 1.00 0.83 H new ATOM 0 HG21 VAL A 52 15.766 2.193 7.046 1.00 0.98 H new ATOM 0 HG22 VAL A 52 14.263 2.888 6.394 1.00 0.98 H new ATOM 0 HG23 VAL A 52 14.829 3.354 8.016 1.00 0.98 H new ATOM 752 N GLY A 53 10.632 0.483 8.939 1.00 0.75 N ATOM 753 CA GLY A 53 9.827 -0.408 9.764 1.00 0.96 C ATOM 754 C GLY A 53 8.588 0.283 10.326 1.00 1.05 C ATOM 755 O GLY A 53 7.832 -0.331 11.073 1.00 1.73 O ATOM 0 H GLY A 53 10.147 0.805 8.102 1.00 0.75 H new ATOM 0 HA2 GLY A 53 9.522 -1.271 9.172 1.00 0.96 H new ATOM 0 HA3 GLY A 53 10.434 -0.785 10.587 1.00 0.96 H new ATOM 759 N LYS A 54 8.337 1.549 9.965 1.00 0.44 N ATOM 760 CA LYS A 54 7.092 2.220 10.326 1.00 0.33 C ATOM 761 C LYS A 54 6.494 2.968 9.150 1.00 0.33 C ATOM 762 O LYS A 54 7.205 3.395 8.246 1.00 0.41 O ATOM 763 CB LYS A 54 7.330 3.191 11.491 1.00 0.53 C ATOM 764 CG LYS A 54 7.561 2.490 12.832 1.00 2.06 C ATOM 765 CD LYS A 54 6.311 1.678 13.217 1.00 2.72 C ATOM 766 CE LYS A 54 6.383 1.012 14.588 1.00 4.16 C ATOM 767 NZ LYS A 54 5.215 0.115 14.778 1.00 5.20 N ATOM 0 H LYS A 54 8.983 2.124 9.424 1.00 0.44 H new ATOM 0 HA LYS A 54 6.383 1.450 10.631 1.00 0.33 H new ATOM 0 HB2 LYS A 54 8.194 3.815 11.263 1.00 0.53 H new ATOM 0 HB3 LYS A 54 6.471 3.856 11.581 1.00 0.53 H new ATOM 0 HG2 LYS A 54 8.427 1.832 12.764 1.00 2.06 H new ATOM 0 HG3 LYS A 54 7.780 3.227 13.605 1.00 2.06 H new ATOM 0 HD2 LYS A 54 5.444 2.338 13.193 1.00 2.72 H new ATOM 0 HD3 LYS A 54 6.147 0.909 12.462 1.00 2.72 H new ATOM 0 HE2 LYS A 54 7.308 0.442 14.677 1.00 4.16 H new ATOM 0 HE3 LYS A 54 6.400 1.771 15.370 1.00 4.16 H new ATOM 0 HZ1 LYS A 54 5.399 -0.530 15.573 1.00 5.20 H new ATOM 0 HZ2 LYS A 54 4.369 0.685 14.983 1.00 5.20 H new ATOM 0 HZ3 LYS A 54 5.058 -0.438 13.912 1.00 5.20 H new ATOM 781 N ALA A 55 5.176 3.156 9.201 1.00 0.33 N ATOM 782 CA ALA A 55 4.455 4.050 8.307 1.00 0.38 C ATOM 783 C ALA A 55 4.213 5.381 9.024 1.00 0.48 C ATOM 784 O ALA A 55 4.159 5.414 10.253 1.00 0.61 O ATOM 785 CB ALA A 55 3.117 3.396 7.944 1.00 0.43 C ATOM 0 H ALA A 55 4.574 2.683 9.875 1.00 0.33 H new ATOM 0 HA ALA A 55 5.030 4.234 7.399 1.00 0.38 H new ATOM 0 HB1 ALA A 55 2.561 4.052 7.274 1.00 0.43 H new ATOM 0 HB2 ALA A 55 3.301 2.442 7.449 1.00 0.43 H new ATOM 0 HB3 ALA A 55 2.536 3.228 8.851 1.00 0.43 H new ATOM 791 N ARG A 56 4.006 6.469 8.276 1.00 0.42 N ATOM 792 CA ARG A 56 3.429 7.701 8.807 1.00 0.37 C ATOM 793 C ARG A 56 2.332 8.180 7.867 1.00 0.32 C ATOM 794 O ARG A 56 2.421 8.022 6.656 1.00 0.35 O ATOM 795 CB ARG A 56 4.488 8.798 8.981 1.00 0.60 C ATOM 796 CG ARG A 56 5.151 8.736 10.360 1.00 1.17 C ATOM 797 CD ARG A 56 6.193 9.859 10.465 1.00 1.70 C ATOM 798 NE ARG A 56 6.830 9.934 11.792 1.00 2.45 N ATOM 799 CZ ARG A 56 7.795 9.108 12.221 1.00 3.79 C ATOM 800 NH1 ARG A 56 8.474 9.347 13.341 1.00 4.46 N ATOM 801 NH2 ARG A 56 8.092 8.021 11.523 1.00 4.99 N ATOM 0 H ARG A 56 4.235 6.517 7.283 1.00 0.42 H new ATOM 0 HA ARG A 56 3.015 7.490 9.793 1.00 0.37 H new ATOM 0 HB2 ARG A 56 5.249 8.695 8.207 1.00 0.60 H new ATOM 0 HB3 ARG A 56 4.025 9.775 8.844 1.00 0.60 H new ATOM 0 HG2 ARG A 56 4.401 8.844 11.143 1.00 1.17 H new ATOM 0 HG3 ARG A 56 5.627 7.766 10.506 1.00 1.17 H new ATOM 0 HD2 ARG A 56 6.962 9.705 9.708 1.00 1.70 H new ATOM 0 HD3 ARG A 56 5.714 10.813 10.244 1.00 1.70 H new ATOM 0 HE ARG A 56 6.515 10.666 12.429 1.00 2.45 H new ATOM 0 HH11 ARG A 56 8.265 10.176 13.897 1.00 4.46 H new ATOM 0 HH12 ARG A 56 9.203 8.701 13.643 1.00 4.46 H new ATOM 0 HH21 ARG A 56 7.587 7.814 10.661 1.00 4.99 H new ATOM 0 HH22 ARG A 56 8.826 7.391 11.848 1.00 4.99 H new ATOM 815 N LEU A 57 1.286 8.761 8.439 1.00 0.41 N ATOM 816 CA LEU A 57 0.188 9.392 7.735 1.00 0.45 C ATOM 817 C LEU A 57 0.684 10.701 7.115 1.00 0.52 C ATOM 818 O LEU A 57 1.659 11.279 7.590 1.00 0.82 O ATOM 819 CB LEU A 57 -0.975 9.660 8.704 1.00 0.81 C ATOM 820 CG LEU A 57 -1.570 8.388 9.340 1.00 1.60 C ATOM 821 CD1 LEU A 57 -0.798 7.886 10.567 1.00 3.39 C ATOM 822 CD2 LEU A 57 -3.013 8.662 9.774 1.00 2.06 C ATOM 0 H LEU A 57 1.179 8.805 9.452 1.00 0.41 H new ATOM 0 HA LEU A 57 -0.173 8.733 6.946 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -0.628 10.322 9.497 1.00 0.81 H new ATOM 0 HB3 LEU A 57 -1.764 10.190 8.170 1.00 0.81 H new ATOM 0 HG LEU A 57 -1.509 7.615 8.574 1.00 1.60 H new ATOM 0 HD11 LEU A 57 -1.278 6.989 10.957 1.00 3.39 H new ATOM 0 HD12 LEU A 57 0.228 7.653 10.281 1.00 3.39 H new ATOM 0 HD13 LEU A 57 -0.794 8.659 11.336 1.00 3.39 H new ATOM 0 HD21 LEU A 57 -3.435 7.763 10.224 1.00 2.06 H new ATOM 0 HD22 LEU A 57 -3.026 9.473 10.502 1.00 2.06 H new ATOM 0 HD23 LEU A 57 -3.607 8.945 8.905 1.00 2.06 H new ATOM 834 N VAL A 58 -0.010 11.191 6.085 1.00 0.53 N ATOM 835 CA VAL A 58 0.355 12.386 5.343 1.00 0.70 C ATOM 836 C VAL A 58 -0.864 13.299 5.311 1.00 0.70 C ATOM 837 O VAL A 58 -1.906 12.954 4.752 1.00 0.69 O ATOM 838 CB VAL A 58 0.813 12.000 3.929 1.00 0.95 C ATOM 839 CG1 VAL A 58 1.079 13.223 3.052 1.00 2.48 C ATOM 840 CG2 VAL A 58 2.083 11.159 3.978 1.00 1.93 C ATOM 0 H VAL A 58 -0.863 10.751 5.740 1.00 0.53 H new ATOM 0 HA VAL A 58 1.185 12.909 5.818 1.00 0.70 H new ATOM 0 HB VAL A 58 -0.003 11.425 3.493 1.00 0.95 H new ATOM 0 HG11 VAL A 58 1.400 12.898 2.062 1.00 2.48 H new ATOM 0 HG12 VAL A 58 0.166 13.812 2.962 1.00 2.48 H new ATOM 0 HG13 VAL A 58 1.861 13.833 3.505 1.00 2.48 H new ATOM 0 HG21 VAL A 58 2.386 10.899 2.964 1.00 1.93 H new ATOM 0 HG22 VAL A 58 2.878 11.728 4.460 1.00 1.93 H new ATOM 0 HG23 VAL A 58 1.894 10.248 4.545 1.00 1.93 H new ATOM 850 N LYS A 59 -0.758 14.474 5.929 1.00 0.92 N ATOM 851 CA LYS A 59 -1.873 15.403 6.009 1.00 1.05 C ATOM 852 C LYS A 59 -1.900 16.247 4.739 1.00 1.06 C ATOM 853 O LYS A 59 -1.528 17.417 4.758 1.00 1.37 O ATOM 854 CB LYS A 59 -1.731 16.258 7.276 1.00 1.54 C ATOM 855 CG LYS A 59 -1.917 15.384 8.525 1.00 2.07 C ATOM 856 CD LYS A 59 -1.492 16.106 9.807 1.00 2.58 C ATOM 857 CE LYS A 59 -2.375 17.327 10.078 1.00 3.42 C ATOM 858 NZ LYS A 59 -1.991 18.004 11.336 1.00 4.33 N ATOM 0 H LYS A 59 0.095 14.802 6.382 1.00 0.92 H new ATOM 0 HA LYS A 59 -2.822 14.872 6.079 1.00 1.05 H new ATOM 0 HB2 LYS A 59 -0.749 16.731 7.297 1.00 1.54 H new ATOM 0 HB3 LYS A 59 -2.471 17.058 7.269 1.00 1.54 H new ATOM 0 HG2 LYS A 59 -2.963 15.088 8.607 1.00 2.07 H new ATOM 0 HG3 LYS A 59 -1.335 14.469 8.416 1.00 2.07 H new ATOM 0 HD2 LYS A 59 -1.550 15.418 10.650 1.00 2.58 H new ATOM 0 HD3 LYS A 59 -0.451 16.419 9.722 1.00 2.58 H new ATOM 0 HE2 LYS A 59 -2.294 18.028 9.247 1.00 3.42 H new ATOM 0 HE3 LYS A 59 -3.419 17.018 10.134 1.00 3.42 H new ATOM 0 HZ1 LYS A 59 -2.608 18.827 11.490 1.00 4.33 H new ATOM 0 HZ2 LYS A 59 -2.092 17.342 12.131 1.00 4.33 H new ATOM 0 HZ3 LYS A 59 -1.002 18.320 11.272 1.00 4.33 H new ATOM 872 N GLY A 60 -2.344 15.658 3.630 1.00 0.98 N ATOM 873 CA GLY A 60 -2.522 16.371 2.391 1.00 1.15 C ATOM 874 C GLY A 60 -3.766 17.230 2.529 1.00 1.11 C ATOM 875 O GLY A 60 -4.830 16.738 2.902 1.00 1.06 O ATOM 0 H GLY A 60 -2.588 14.669 3.578 1.00 0.98 H new ATOM 0 HA2 GLY A 60 -1.651 16.990 2.177 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -2.629 15.674 1.560 1.00 1.15 H new ATOM 879 N ALA A 61 -3.630 18.515 2.220 1.00 1.22 N ATOM 880 CA ALA A 61 -4.750 19.450 2.240 1.00 1.29 C ATOM 881 C ALA A 61 -5.863 18.965 1.315 1.00 1.17 C ATOM 882 O ALA A 61 -7.038 19.034 1.657 1.00 1.18 O ATOM 883 CB ALA A 61 -4.291 20.856 1.844 1.00 1.49 C ATOM 0 H ALA A 61 -2.742 18.938 1.949 1.00 1.22 H new ATOM 0 HA ALA A 61 -5.141 19.497 3.256 1.00 1.29 H new ATOM 0 HB1 ALA A 61 -5.142 21.536 1.866 1.00 1.49 H new ATOM 0 HB2 ALA A 61 -3.532 21.202 2.546 1.00 1.49 H new ATOM 0 HB3 ALA A 61 -3.871 20.832 0.838 1.00 1.49 H new ATOM 889 N ALA A 62 -5.477 18.458 0.143 1.00 1.12 N ATOM 890 CA ALA A 62 -6.417 17.919 -0.823 1.00 1.07 C ATOM 891 C ALA A 62 -7.137 16.691 -0.248 1.00 1.02 C ATOM 892 O ALA A 62 -8.353 16.578 -0.381 1.00 1.05 O ATOM 893 CB ALA A 62 -5.663 17.598 -2.116 1.00 1.08 C ATOM 0 H ALA A 62 -4.503 18.413 -0.157 1.00 1.12 H new ATOM 0 HA ALA A 62 -7.190 18.654 -1.048 1.00 1.07 H new ATOM 0 HB1 ALA A 62 -6.358 17.192 -2.851 1.00 1.08 H new ATOM 0 HB2 ALA A 62 -5.210 18.508 -2.509 1.00 1.08 H new ATOM 0 HB3 ALA A 62 -4.883 16.865 -1.910 1.00 1.08 H new ATOM 899 N LYS A 63 -6.409 15.761 0.383 1.00 0.94 N ATOM 900 CA LYS A 63 -7.001 14.662 1.142 1.00 0.86 C ATOM 901 C LYS A 63 -5.914 14.063 2.033 1.00 0.82 C ATOM 902 O LYS A 63 -4.736 14.110 1.682 1.00 0.84 O ATOM 903 CB LYS A 63 -7.565 13.600 0.178 1.00 0.81 C ATOM 904 CG LYS A 63 -8.361 12.467 0.845 1.00 1.28 C ATOM 905 CD LYS A 63 -9.662 12.946 1.497 1.00 2.16 C ATOM 906 CE LYS A 63 -10.353 11.741 2.141 1.00 2.96 C ATOM 907 NZ LYS A 63 -11.641 12.106 2.768 1.00 3.61 N ATOM 0 H LYS A 63 -5.389 15.753 0.379 1.00 0.94 H new ATOM 0 HA LYS A 63 -7.824 15.023 1.758 1.00 0.86 H new ATOM 0 HB2 LYS A 63 -8.209 14.097 -0.547 1.00 0.81 H new ATOM 0 HB3 LYS A 63 -6.737 13.162 -0.379 1.00 0.81 H new ATOM 0 HG2 LYS A 63 -8.594 11.708 0.099 1.00 1.28 H new ATOM 0 HG3 LYS A 63 -7.737 11.990 1.601 1.00 1.28 H new ATOM 0 HD2 LYS A 63 -9.452 13.708 2.247 1.00 2.16 H new ATOM 0 HD3 LYS A 63 -10.313 13.403 0.752 1.00 2.16 H new ATOM 0 HE2 LYS A 63 -10.523 10.975 1.385 1.00 2.96 H new ATOM 0 HE3 LYS A 63 -9.695 11.306 2.893 1.00 2.96 H new ATOM 0 HZ1 LYS A 63 -12.073 11.260 3.191 1.00 3.61 H new ATOM 0 HZ2 LYS A 63 -11.477 12.818 3.508 1.00 3.61 H new ATOM 0 HZ3 LYS A 63 -12.280 12.497 2.047 1.00 3.61 H new ATOM 921 N HIS A 64 -6.301 13.467 3.163 1.00 0.88 N ATOM 922 CA HIS A 64 -5.387 12.657 3.954 1.00 0.81 C ATOM 923 C HIS A 64 -4.946 11.445 3.134 1.00 0.70 C ATOM 924 O HIS A 64 -5.767 10.796 2.491 1.00 0.76 O ATOM 925 CB HIS A 64 -6.073 12.180 5.239 1.00 0.87 C ATOM 926 CG HIS A 64 -6.364 13.257 6.254 1.00 1.13 C ATOM 927 ND1 HIS A 64 -6.943 13.045 7.485 1.00 1.44 N ATOM 928 CD2 HIS A 64 -6.077 14.594 6.155 1.00 1.21 C ATOM 929 CE1 HIS A 64 -7.001 14.231 8.115 1.00 1.71 C ATOM 930 NE2 HIS A 64 -6.482 15.202 7.348 1.00 1.57 N ATOM 0 H HIS A 64 -7.244 13.533 3.547 1.00 0.88 H new ATOM 0 HA HIS A 64 -4.519 13.261 4.221 1.00 0.81 H new ATOM 0 HB2 HIS A 64 -7.011 11.694 4.971 1.00 0.87 H new ATOM 0 HB3 HIS A 64 -5.444 11.423 5.707 1.00 0.87 H new ATOM 0 HD2 HIS A 64 -5.621 15.088 5.310 1.00 1.21 H new ATOM 0 HE1 HIS A 64 -7.409 14.382 9.103 1.00 1.71 H new ATOM 0 HE2 HIS A 64 -6.399 16.190 7.588 1.00 1.57 H new ATOM 938 N ILE A 65 -3.659 11.118 3.207 1.00 0.58 N ATOM 939 CA ILE A 65 -3.037 9.966 2.573 1.00 0.47 C ATOM 940 C ILE A 65 -2.274 9.241 3.688 1.00 0.40 C ATOM 941 O ILE A 65 -2.199 9.742 4.809 1.00 0.50 O ATOM 942 CB ILE A 65 -2.148 10.446 1.398 1.00 0.48 C ATOM 943 CG1 ILE A 65 -2.911 11.303 0.368 1.00 0.94 C ATOM 944 CG2 ILE A 65 -1.444 9.300 0.654 1.00 0.54 C ATOM 945 CD1 ILE A 65 -3.998 10.559 -0.411 1.00 1.36 C ATOM 0 H ILE A 65 -2.991 11.678 3.737 1.00 0.58 H new ATOM 0 HA ILE A 65 -3.748 9.271 2.126 1.00 0.47 H new ATOM 0 HB ILE A 65 -1.393 11.064 1.885 1.00 0.48 H new ATOM 0 HG12 ILE A 65 -3.368 12.146 0.886 1.00 0.94 H new ATOM 0 HG13 ILE A 65 -2.194 11.716 -0.342 1.00 0.94 H new ATOM 0 HG21 ILE A 65 -0.839 9.709 -0.155 1.00 0.54 H new ATOM 0 HG22 ILE A 65 -0.802 8.756 1.347 1.00 0.54 H new ATOM 0 HG23 ILE A 65 -2.190 8.621 0.242 1.00 0.54 H new ATOM 0 HD11 ILE A 65 -4.478 11.244 -1.110 1.00 1.36 H new ATOM 0 HD12 ILE A 65 -3.549 9.733 -0.963 1.00 1.36 H new ATOM 0 HD13 ILE A 65 -4.742 10.170 0.284 1.00 1.36 H new ATOM 957 N ILE A 66 -1.720 8.062 3.422 1.00 0.44 N ATOM 958 CA ILE A 66 -0.969 7.268 4.379 1.00 0.37 C ATOM 959 C ILE A 66 0.261 6.777 3.626 1.00 0.33 C ATOM 960 O ILE A 66 0.145 6.414 2.456 1.00 0.38 O ATOM 961 CB ILE A 66 -1.807 6.082 4.898 1.00 0.42 C ATOM 962 CG1 ILE A 66 -3.256 6.420 5.303 1.00 0.54 C ATOM 963 CG2 ILE A 66 -1.086 5.371 6.051 1.00 0.42 C ATOM 964 CD1 ILE A 66 -3.386 7.204 6.607 1.00 0.45 C ATOM 0 H ILE A 66 -1.786 7.622 2.504 1.00 0.44 H new ATOM 0 HA ILE A 66 -0.697 7.854 5.257 1.00 0.37 H new ATOM 0 HB ILE A 66 -1.900 5.417 4.040 1.00 0.42 H new ATOM 0 HG12 ILE A 66 -3.719 6.995 4.501 1.00 0.54 H new ATOM 0 HG13 ILE A 66 -3.819 5.491 5.395 1.00 0.54 H new ATOM 0 HG21 ILE A 66 -1.695 4.538 6.402 1.00 0.42 H new ATOM 0 HG22 ILE A 66 -0.124 4.996 5.702 1.00 0.42 H new ATOM 0 HG23 ILE A 66 -0.927 6.074 6.869 1.00 0.42 H new ATOM 0 HD11 ILE A 66 -4.439 7.397 6.812 1.00 0.45 H new ATOM 0 HD12 ILE A 66 -2.957 6.624 7.424 1.00 0.45 H new ATOM 0 HD13 ILE A 66 -2.855 8.151 6.516 1.00 0.45 H new ATOM 976 N HIS A 67 1.429 6.765 4.269 1.00 0.31 N ATOM 977 CA HIS A 67 2.695 6.495 3.596 1.00 0.38 C ATOM 978 C HIS A 67 3.423 5.384 4.344 1.00 0.38 C ATOM 979 O HIS A 67 3.658 5.489 5.546 1.00 0.47 O ATOM 980 CB HIS A 67 3.518 7.797 3.521 1.00 0.49 C ATOM 981 CG HIS A 67 3.461 8.518 2.189 1.00 0.99 C ATOM 982 ND1 HIS A 67 4.278 9.560 1.798 1.00 1.72 N ATOM 983 CD2 HIS A 67 2.566 8.306 1.170 1.00 1.60 C ATOM 984 CE1 HIS A 67 3.864 9.972 0.587 1.00 2.30 C ATOM 985 NE2 HIS A 67 2.830 9.232 0.159 1.00 2.29 N ATOM 0 H HIS A 67 1.522 6.942 5.269 1.00 0.31 H new ATOM 0 HA HIS A 67 2.533 6.155 2.573 1.00 0.38 H new ATOM 0 HB2 HIS A 67 3.168 8.475 4.299 1.00 0.49 H new ATOM 0 HB3 HIS A 67 4.559 7.564 3.746 1.00 0.49 H new ATOM 0 HD1 HIS A 67 5.056 9.948 2.332 1.00 1.72 H new ATOM 0 HD2 HIS A 67 1.792 7.553 1.153 1.00 1.60 H new ATOM 0 HE1 HIS A 67 4.304 10.788 0.034 1.00 2.30 H new ATOM 993 N ALA A 68 3.770 4.303 3.640 1.00 0.38 N ATOM 994 CA ALA A 68 4.264 3.083 4.254 1.00 0.36 C ATOM 995 C ALA A 68 5.637 2.703 3.708 1.00 0.34 C ATOM 996 O ALA A 68 5.938 2.861 2.524 1.00 0.50 O ATOM 997 CB ALA A 68 3.251 1.964 4.020 1.00 0.47 C ATOM 0 H ALA A 68 3.713 4.257 2.623 1.00 0.38 H new ATOM 0 HA ALA A 68 4.383 3.246 5.325 1.00 0.36 H new ATOM 0 HB1 ALA A 68 3.613 1.044 4.478 1.00 0.47 H new ATOM 0 HB2 ALA A 68 2.295 2.239 4.466 1.00 0.47 H new ATOM 0 HB3 ALA A 68 3.120 1.810 2.949 1.00 0.47 H new ATOM 1003 N VAL A 69 6.487 2.178 4.585 1.00 0.44 N ATOM 1004 CA VAL A 69 7.826 1.783 4.272 1.00 0.56 C ATOM 1005 C VAL A 69 7.767 0.496 3.458 1.00 0.48 C ATOM 1006 O VAL A 69 7.410 -0.564 3.954 1.00 0.70 O ATOM 1007 CB VAL A 69 8.585 1.637 5.598 1.00 0.93 C ATOM 1008 CG1 VAL A 69 8.078 0.496 6.493 1.00 2.77 C ATOM 1009 CG2 VAL A 69 10.074 1.499 5.312 1.00 2.51 C ATOM 0 H VAL A 69 6.239 2.017 5.561 1.00 0.44 H new ATOM 0 HA VAL A 69 8.357 2.517 3.665 1.00 0.56 H new ATOM 0 HB VAL A 69 8.397 2.543 6.174 1.00 0.93 H new ATOM 0 HG11 VAL A 69 8.668 0.462 7.409 1.00 2.77 H new ATOM 0 HG12 VAL A 69 7.031 0.667 6.742 1.00 2.77 H new ATOM 0 HG13 VAL A 69 8.175 -0.452 5.964 1.00 2.77 H new ATOM 0 HG21 VAL A 69 10.617 1.395 6.251 1.00 2.51 H new ATOM 0 HG22 VAL A 69 10.246 0.618 4.694 1.00 2.51 H new ATOM 0 HG23 VAL A 69 10.427 2.386 4.785 1.00 2.51 H new ATOM 1019 N GLY A 70 8.096 0.582 2.178 1.00 0.76 N ATOM 1020 CA GLY A 70 8.254 -0.623 1.386 1.00 1.02 C ATOM 1021 C GLY A 70 9.518 -1.364 1.829 1.00 1.02 C ATOM 1022 O GLY A 70 10.518 -0.718 2.150 1.00 1.78 O ATOM 0 H GLY A 70 8.256 1.455 1.676 1.00 0.76 H new ATOM 0 HA2 GLY A 70 7.382 -1.266 1.505 1.00 1.02 H new ATOM 0 HA3 GLY A 70 8.320 -0.369 0.328 1.00 1.02 H new ATOM 1026 N PRO A 71 9.522 -2.706 1.794 1.00 1.39 N ATOM 1027 CA PRO A 71 10.756 -3.475 1.719 1.00 1.75 C ATOM 1028 C PRO A 71 11.364 -3.207 0.339 1.00 1.10 C ATOM 1029 O PRO A 71 10.735 -2.540 -0.477 1.00 1.42 O ATOM 1030 CB PRO A 71 10.305 -4.932 1.847 1.00 2.75 C ATOM 1031 CG PRO A 71 8.976 -4.909 1.102 1.00 2.96 C ATOM 1032 CD PRO A 71 8.382 -3.558 1.500 1.00 2.23 C ATOM 0 HA PRO A 71 11.496 -3.228 2.480 1.00 1.75 H new ATOM 0 HB2 PRO A 71 11.017 -5.622 1.394 1.00 2.75 H new ATOM 0 HB3 PRO A 71 10.186 -5.234 2.888 1.00 2.75 H new ATOM 0 HG2 PRO A 71 9.116 -4.986 0.024 1.00 2.96 H new ATOM 0 HG3 PRO A 71 8.332 -5.736 1.400 1.00 2.96 H new ATOM 0 HD2 PRO A 71 7.778 -3.142 0.694 1.00 2.23 H new ATOM 0 HD3 PRO A 71 7.731 -3.656 2.368 1.00 2.23 H new ATOM 1040 N ASN A 72 12.543 -3.744 0.008 1.00 1.10 N ATOM 1041 CA ASN A 72 13.056 -3.636 -1.342 1.00 0.90 C ATOM 1042 C ASN A 72 13.944 -4.850 -1.536 1.00 0.81 C ATOM 1043 O ASN A 72 15.152 -4.731 -1.384 1.00 0.86 O ATOM 1044 CB ASN A 72 13.798 -2.300 -1.500 1.00 1.46 C ATOM 1045 CG ASN A 72 14.128 -2.025 -2.957 1.00 1.59 C ATOM 1046 OD1 ASN A 72 13.509 -1.190 -3.601 1.00 2.46 O ATOM 1047 ND2 ASN A 72 15.109 -2.718 -3.509 1.00 3.07 N ATOM 0 H ASN A 72 13.147 -4.250 0.656 1.00 1.10 H new ATOM 0 HA ASN A 72 12.278 -3.630 -2.106 1.00 0.90 H new ATOM 0 HB2 ASN A 72 13.184 -1.491 -1.104 1.00 1.46 H new ATOM 0 HB3 ASN A 72 14.717 -2.319 -0.914 1.00 1.46 H new ATOM 0 HD21 ASN A 72 15.359 -2.560 -4.485 1.00 3.07 H new ATOM 0 HD22 ASN A 72 15.616 -3.411 -2.959 1.00 3.07 H new ATOM 1054 N PHE A 73 13.358 -6.019 -1.812 1.00 0.78 N ATOM 1055 CA PHE A 73 14.086 -7.288 -1.914 1.00 0.82 C ATOM 1056 C PHE A 73 15.205 -7.209 -2.950 1.00 0.87 C ATOM 1057 O PHE A 73 16.238 -7.849 -2.800 1.00 0.97 O ATOM 1058 CB PHE A 73 13.161 -8.477 -2.209 1.00 0.90 C ATOM 1059 CG PHE A 73 12.089 -8.750 -1.168 1.00 1.90 C ATOM 1060 CD1 PHE A 73 12.292 -9.787 -0.240 1.00 2.49 C ATOM 1061 CD2 PHE A 73 10.886 -8.016 -1.131 1.00 3.90 C ATOM 1062 CE1 PHE A 73 11.311 -10.093 0.719 1.00 3.75 C ATOM 1063 CE2 PHE A 73 9.912 -8.310 -0.161 1.00 5.33 C ATOM 1064 CZ PHE A 73 10.121 -9.350 0.761 1.00 4.98 C ATOM 0 H PHE A 73 12.355 -6.112 -1.973 1.00 0.78 H new ATOM 0 HA PHE A 73 14.533 -7.462 -0.935 1.00 0.82 H new ATOM 0 HB2 PHE A 73 12.674 -8.306 -3.169 1.00 0.90 H new ATOM 0 HB3 PHE A 73 13.773 -9.372 -2.317 1.00 0.90 H new ATOM 0 HD1 PHE A 73 13.211 -10.354 -0.264 1.00 2.49 H new ATOM 0 HD2 PHE A 73 10.713 -7.227 -1.848 1.00 3.90 H new ATOM 0 HE1 PHE A 73 11.472 -10.897 1.421 1.00 3.75 H new ATOM 0 HE2 PHE A 73 8.999 -7.734 -0.124 1.00 5.33 H new ATOM 0 HZ PHE A 73 9.367 -9.577 1.500 1.00 4.98 H new ATOM 1074 N ASN A 74 15.065 -6.364 -3.972 1.00 0.84 N ATOM 1075 CA ASN A 74 16.129 -6.192 -4.953 1.00 0.91 C ATOM 1076 C ASN A 74 17.429 -5.654 -4.336 1.00 1.11 C ATOM 1077 O ASN A 74 18.465 -5.650 -4.995 1.00 1.49 O ATOM 1078 CB ASN A 74 15.640 -5.266 -6.073 1.00 0.87 C ATOM 1079 CG ASN A 74 16.454 -5.450 -7.346 1.00 1.20 C ATOM 1080 OD1 ASN A 74 16.756 -6.568 -7.741 1.00 2.11 O ATOM 1081 ND2 ASN A 74 16.774 -4.368 -8.043 1.00 1.60 N ATOM 0 H ASN A 74 14.235 -5.796 -4.139 1.00 0.84 H new ATOM 0 HA ASN A 74 16.368 -7.175 -5.358 1.00 0.91 H new ATOM 0 HB2 ASN A 74 14.589 -5.468 -6.280 1.00 0.87 H new ATOM 0 HB3 ASN A 74 15.707 -4.229 -5.744 1.00 0.87 H new ATOM 0 HD21 ASN A 74 17.280 -4.460 -8.924 1.00 1.60 H new ATOM 0 HD22 ASN A 74 16.514 -3.444 -7.698 1.00 1.60 H new ATOM 1088 N LYS A 75 17.377 -5.143 -3.099 1.00 0.97 N ATOM 1089 CA LYS A 75 18.512 -4.602 -2.357 1.00 1.15 C ATOM 1090 C LYS A 75 18.460 -5.029 -0.886 1.00 1.06 C ATOM 1091 O LYS A 75 19.111 -4.409 -0.050 1.00 1.11 O ATOM 1092 CB LYS A 75 18.507 -3.072 -2.474 1.00 1.29 C ATOM 1093 CG LYS A 75 18.971 -2.629 -3.862 1.00 1.63 C ATOM 1094 CD LYS A 75 18.719 -1.139 -4.062 1.00 2.81 C ATOM 1095 CE LYS A 75 19.449 -0.718 -5.340 1.00 3.17 C ATOM 1096 NZ LYS A 75 19.100 0.655 -5.761 1.00 4.68 N ATOM 0 H LYS A 75 16.506 -5.096 -2.571 1.00 0.97 H new ATOM 0 HA LYS A 75 19.435 -4.996 -2.782 1.00 1.15 H new ATOM 0 HB2 LYS A 75 17.503 -2.692 -2.283 1.00 1.29 H new ATOM 0 HB3 LYS A 75 19.160 -2.643 -1.714 1.00 1.29 H new ATOM 0 HG2 LYS A 75 20.033 -2.843 -3.982 1.00 1.63 H new ATOM 0 HG3 LYS A 75 18.443 -3.198 -4.627 1.00 1.63 H new ATOM 0 HD2 LYS A 75 17.651 -0.938 -4.146 1.00 2.81 H new ATOM 0 HD3 LYS A 75 19.084 -0.570 -3.207 1.00 2.81 H new ATOM 0 HE2 LYS A 75 20.525 -0.783 -5.179 1.00 3.17 H new ATOM 0 HE3 LYS A 75 19.204 -1.415 -6.142 1.00 3.17 H new ATOM 0 HZ1 LYS A 75 19.619 0.894 -6.630 1.00 4.68 H new ATOM 0 HZ2 LYS A 75 18.077 0.714 -5.941 1.00 4.68 H new ATOM 0 HZ3 LYS A 75 19.358 1.325 -5.008 1.00 4.68 H new ATOM 1110 N VAL A 76 17.688 -6.060 -0.541 1.00 1.00 N ATOM 1111 CA VAL A 76 17.547 -6.485 0.850 1.00 1.04 C ATOM 1112 C VAL A 76 17.288 -7.989 0.858 1.00 1.00 C ATOM 1113 O VAL A 76 16.621 -8.498 -0.039 1.00 1.02 O ATOM 1114 CB VAL A 76 16.452 -5.640 1.546 1.00 1.12 C ATOM 1115 CG1 VAL A 76 15.161 -6.381 1.914 1.00 0.97 C ATOM 1116 CG2 VAL A 76 17.011 -5.031 2.828 1.00 1.24 C ATOM 0 H VAL A 76 17.151 -6.616 -1.207 1.00 1.00 H new ATOM 0 HA VAL A 76 18.455 -6.312 1.428 1.00 1.04 H new ATOM 0 HB VAL A 76 16.178 -4.895 0.799 1.00 1.12 H new ATOM 0 HG11 VAL A 76 14.469 -5.690 2.395 1.00 0.97 H new ATOM 0 HG12 VAL A 76 14.703 -6.784 1.011 1.00 0.97 H new ATOM 0 HG13 VAL A 76 15.392 -7.197 2.598 1.00 0.97 H new ATOM 0 HG21 VAL A 76 16.238 -4.437 3.316 1.00 1.24 H new ATOM 0 HG22 VAL A 76 17.334 -5.827 3.499 1.00 1.24 H new ATOM 0 HG23 VAL A 76 17.861 -4.393 2.587 1.00 1.24 H new ATOM 1126 N SER A 77 17.835 -8.728 1.825 1.00 1.02 N ATOM 1127 CA SER A 77 17.706 -10.166 1.830 1.00 1.06 C ATOM 1128 C SER A 77 16.255 -10.516 2.105 1.00 1.06 C ATOM 1129 O SER A 77 15.561 -9.777 2.797 1.00 0.97 O ATOM 1130 CB SER A 77 18.612 -10.733 2.923 1.00 1.05 C ATOM 1131 OG SER A 77 19.885 -10.123 2.846 1.00 1.82 O ATOM 0 H SER A 77 18.367 -8.346 2.607 1.00 1.02 H new ATOM 0 HA SER A 77 18.001 -10.590 0.870 1.00 1.06 H new ATOM 0 HB2 SER A 77 18.171 -10.555 3.904 1.00 1.05 H new ATOM 0 HB3 SER A 77 18.707 -11.813 2.807 1.00 1.05 H new ATOM 0 HG SER A 77 20.465 -10.486 3.548 1.00 1.82 H new ATOM 1137 N GLU A 78 15.817 -11.681 1.642 1.00 1.16 N ATOM 1138 CA GLU A 78 14.460 -12.173 1.830 1.00 1.23 C ATOM 1139 C GLU A 78 14.045 -12.174 3.295 1.00 1.13 C ATOM 1140 O GLU A 78 12.874 -11.985 3.604 1.00 1.15 O ATOM 1141 CB GLU A 78 14.349 -13.566 1.207 1.00 1.41 C ATOM 1142 CG GLU A 78 13.982 -13.420 -0.279 1.00 2.10 C ATOM 1143 CD GLU A 78 14.183 -14.704 -1.091 1.00 3.14 C ATOM 1144 OE1 GLU A 78 13.937 -15.791 -0.527 1.00 3.17 O ATOM 1145 OE2 GLU A 78 14.591 -14.579 -2.272 1.00 4.68 O ATOM 0 H GLU A 78 16.409 -12.323 1.114 1.00 1.16 H new ATOM 0 HA GLU A 78 13.768 -11.497 1.328 1.00 1.23 H new ATOM 0 HB2 GLU A 78 15.293 -14.102 1.311 1.00 1.41 H new ATOM 0 HB3 GLU A 78 13.591 -14.152 1.727 1.00 1.41 H new ATOM 0 HG2 GLU A 78 12.940 -13.110 -0.358 1.00 2.10 H new ATOM 0 HG3 GLU A 78 14.586 -12.625 -0.717 1.00 2.10 H new ATOM 1152 N VAL A 79 15.007 -12.338 4.199 1.00 1.06 N ATOM 1153 CA VAL A 79 14.728 -12.316 5.624 1.00 1.03 C ATOM 1154 C VAL A 79 14.259 -10.915 5.988 1.00 0.98 C ATOM 1155 O VAL A 79 13.229 -10.734 6.629 1.00 1.10 O ATOM 1156 CB VAL A 79 15.982 -12.721 6.417 1.00 1.01 C ATOM 1157 CG1 VAL A 79 15.766 -12.597 7.931 1.00 1.03 C ATOM 1158 CG2 VAL A 79 16.365 -14.171 6.096 1.00 1.07 C ATOM 0 H VAL A 79 15.988 -12.488 3.965 1.00 1.06 H new ATOM 0 HA VAL A 79 13.947 -13.033 5.877 1.00 1.03 H new ATOM 0 HB VAL A 79 16.781 -12.041 6.121 1.00 1.01 H new ATOM 0 HG11 VAL A 79 16.676 -12.893 8.454 1.00 1.03 H new ATOM 0 HG12 VAL A 79 15.523 -11.564 8.181 1.00 1.03 H new ATOM 0 HG13 VAL A 79 14.945 -13.246 8.236 1.00 1.03 H new ATOM 0 HG21 VAL A 79 17.254 -14.447 6.663 1.00 1.07 H new ATOM 0 HG22 VAL A 79 15.542 -14.833 6.367 1.00 1.07 H new ATOM 0 HG23 VAL A 79 16.571 -14.265 5.030 1.00 1.07 H new ATOM 1168 N GLU A 80 15.024 -9.900 5.600 1.00 0.88 N ATOM 1169 CA GLU A 80 14.755 -8.565 6.095 1.00 0.75 C ATOM 1170 C GLU A 80 13.610 -7.924 5.318 1.00 0.84 C ATOM 1171 O GLU A 80 12.911 -7.064 5.845 1.00 0.90 O ATOM 1172 CB GLU A 80 16.046 -7.744 6.070 1.00 0.75 C ATOM 1173 CG GLU A 80 16.061 -6.686 7.185 1.00 1.07 C ATOM 1174 CD GLU A 80 16.305 -7.311 8.567 1.00 1.99 C ATOM 1175 OE1 GLU A 80 17.385 -7.055 9.142 1.00 2.66 O ATOM 1176 OE2 GLU A 80 15.428 -8.069 9.048 1.00 3.16 O ATOM 0 H GLU A 80 15.815 -9.976 4.960 1.00 0.88 H new ATOM 0 HA GLU A 80 14.422 -8.608 7.132 1.00 0.75 H new ATOM 0 HB2 GLU A 80 16.903 -8.408 6.185 1.00 0.75 H new ATOM 0 HB3 GLU A 80 16.149 -7.255 5.101 1.00 0.75 H new ATOM 0 HG2 GLU A 80 16.838 -5.951 6.977 1.00 1.07 H new ATOM 0 HG3 GLU A 80 15.111 -6.152 7.191 1.00 1.07 H new ATOM 1183 N GLY A 81 13.356 -8.372 4.089 1.00 0.90 N ATOM 1184 CA GLY A 81 12.184 -7.949 3.353 1.00 0.93 C ATOM 1185 C GLY A 81 10.937 -8.643 3.869 1.00 0.94 C ATOM 1186 O GLY A 81 9.864 -8.076 3.742 1.00 0.94 O ATOM 0 H GLY A 81 13.953 -9.030 3.588 1.00 0.90 H new ATOM 0 HA2 GLY A 81 12.066 -6.869 3.440 1.00 0.93 H new ATOM 0 HA3 GLY A 81 12.316 -8.171 2.294 1.00 0.93 H new ATOM 1190 N ASP A 82 11.043 -9.838 4.456 1.00 0.97 N ATOM 1191 CA ASP A 82 9.910 -10.447 5.144 1.00 0.98 C ATOM 1192 C ASP A 82 9.520 -9.556 6.320 1.00 0.92 C ATOM 1193 O ASP A 82 8.364 -9.157 6.437 1.00 0.89 O ATOM 1194 CB ASP A 82 10.242 -11.871 5.600 1.00 1.05 C ATOM 1195 CG ASP A 82 9.142 -12.428 6.499 1.00 1.18 C ATOM 1196 OD1 ASP A 82 8.143 -12.928 5.937 1.00 2.08 O ATOM 1197 OD2 ASP A 82 9.324 -12.345 7.733 1.00 1.58 O ATOM 0 H ASP A 82 11.896 -10.397 4.467 1.00 0.97 H new ATOM 0 HA ASP A 82 9.065 -10.529 4.461 1.00 0.98 H new ATOM 0 HB2 ASP A 82 10.367 -12.516 4.730 1.00 1.05 H new ATOM 0 HB3 ASP A 82 11.191 -11.873 6.137 1.00 1.05 H new ATOM 1202 N LYS A 83 10.496 -9.161 7.147 1.00 0.92 N ATOM 1203 CA LYS A 83 10.217 -8.266 8.267 1.00 0.92 C ATOM 1204 C LYS A 83 9.606 -6.982 7.762 1.00 0.86 C ATOM 1205 O LYS A 83 8.557 -6.592 8.241 1.00 0.84 O ATOM 1206 CB LYS A 83 11.452 -7.902 9.104 1.00 1.07 C ATOM 1207 CG LYS A 83 11.816 -8.918 10.188 1.00 1.26 C ATOM 1208 CD LYS A 83 12.565 -10.119 9.609 1.00 2.08 C ATOM 1209 CE LYS A 83 13.505 -10.739 10.644 1.00 2.35 C ATOM 1210 NZ LYS A 83 14.677 -9.866 10.883 1.00 3.00 N ATOM 0 H LYS A 83 11.472 -9.445 7.061 1.00 0.92 H new ATOM 0 HA LYS A 83 9.533 -8.817 8.912 1.00 0.92 H new ATOM 0 HB2 LYS A 83 12.305 -7.785 8.435 1.00 1.07 H new ATOM 0 HB3 LYS A 83 11.281 -6.934 9.576 1.00 1.07 H new ATOM 0 HG2 LYS A 83 12.433 -8.436 10.946 1.00 1.26 H new ATOM 0 HG3 LYS A 83 10.909 -9.260 10.685 1.00 1.26 H new ATOM 0 HD2 LYS A 83 11.849 -10.868 9.270 1.00 2.08 H new ATOM 0 HD3 LYS A 83 13.137 -9.807 8.736 1.00 2.08 H new ATOM 0 HE2 LYS A 83 12.968 -10.898 11.579 1.00 2.35 H new ATOM 0 HE3 LYS A 83 13.839 -11.717 10.298 1.00 2.35 H new ATOM 0 HZ1 LYS A 83 15.551 -10.407 10.724 1.00 3.00 H new ATOM 0 HZ2 LYS A 83 14.647 -9.058 10.229 1.00 3.00 H new ATOM 0 HZ3 LYS A 83 14.658 -9.519 11.863 1.00 3.00 H new ATOM 1224 N GLN A 84 10.264 -6.299 6.831 1.00 0.85 N ATOM 1225 CA GLN A 84 9.826 -4.982 6.391 1.00 0.79 C ATOM 1226 C GLN A 84 8.465 -5.093 5.711 1.00 0.83 C ATOM 1227 O GLN A 84 7.646 -4.188 5.838 1.00 0.82 O ATOM 1228 CB GLN A 84 10.874 -4.349 5.464 1.00 0.83 C ATOM 1229 CG GLN A 84 12.103 -3.832 6.218 1.00 1.73 C ATOM 1230 CD GLN A 84 11.720 -2.795 7.268 1.00 2.46 C ATOM 1231 OE1 GLN A 84 11.068 -1.801 6.965 1.00 2.30 O ATOM 1232 NE2 GLN A 84 12.102 -3.034 8.512 1.00 3.66 N ATOM 0 H GLN A 84 11.106 -6.639 6.366 1.00 0.85 H new ATOM 0 HA GLN A 84 9.721 -4.328 7.256 1.00 0.79 H new ATOM 0 HB2 GLN A 84 11.191 -5.086 4.726 1.00 0.83 H new ATOM 0 HB3 GLN A 84 10.417 -3.525 4.916 1.00 0.83 H new ATOM 0 HG2 GLN A 84 12.614 -4.666 6.699 1.00 1.73 H new ATOM 0 HG3 GLN A 84 12.807 -3.392 5.511 1.00 1.73 H new ATOM 0 HE21 GLN A 84 12.643 -3.871 8.727 1.00 3.66 H new ATOM 0 HE22 GLN A 84 11.855 -2.381 9.256 1.00 3.66 H new ATOM 1241 N LEU A 85 8.183 -6.202 5.022 1.00 0.85 N ATOM 1242 CA LEU A 85 6.860 -6.388 4.430 1.00 0.84 C ATOM 1243 C LEU A 85 5.819 -6.495 5.540 1.00 0.82 C ATOM 1244 O LEU A 85 4.752 -5.891 5.456 1.00 0.80 O ATOM 1245 CB LEU A 85 6.865 -7.615 3.496 1.00 0.89 C ATOM 1246 CG LEU A 85 5.582 -7.868 2.676 1.00 0.91 C ATOM 1247 CD1 LEU A 85 5.110 -6.599 1.962 1.00 1.06 C ATOM 1248 CD2 LEU A 85 5.886 -8.926 1.611 1.00 1.25 C ATOM 0 H LEU A 85 8.838 -6.968 4.864 1.00 0.85 H new ATOM 0 HA LEU A 85 6.596 -5.527 3.816 1.00 0.84 H new ATOM 0 HB2 LEU A 85 7.698 -7.510 2.801 1.00 0.89 H new ATOM 0 HB3 LEU A 85 7.063 -8.501 4.099 1.00 0.89 H new ATOM 0 HG LEU A 85 4.799 -8.196 3.360 1.00 0.91 H new ATOM 0 HD11 LEU A 85 4.205 -6.816 1.395 1.00 1.06 H new ATOM 0 HD12 LEU A 85 4.900 -5.824 2.699 1.00 1.06 H new ATOM 0 HD13 LEU A 85 5.889 -6.252 1.283 1.00 1.06 H new ATOM 0 HD21 LEU A 85 4.989 -9.117 1.022 1.00 1.25 H new ATOM 0 HD22 LEU A 85 6.680 -8.566 0.957 1.00 1.25 H new ATOM 0 HD23 LEU A 85 6.205 -9.849 2.096 1.00 1.25 H new ATOM 1260 N ALA A 86 6.137 -7.224 6.607 1.00 0.83 N ATOM 1261 CA ALA A 86 5.215 -7.411 7.719 1.00 0.82 C ATOM 1262 C ALA A 86 5.148 -6.178 8.616 1.00 0.71 C ATOM 1263 O ALA A 86 4.159 -5.993 9.309 1.00 0.68 O ATOM 1264 CB ALA A 86 5.646 -8.635 8.526 1.00 0.89 C ATOM 0 H ALA A 86 7.033 -7.697 6.723 1.00 0.83 H new ATOM 0 HA ALA A 86 4.215 -7.566 7.314 1.00 0.82 H new ATOM 0 HB1 ALA A 86 4.960 -8.781 9.360 1.00 0.89 H new ATOM 0 HB2 ALA A 86 5.631 -9.517 7.885 1.00 0.89 H new ATOM 0 HB3 ALA A 86 6.655 -8.482 8.909 1.00 0.89 H new ATOM 1270 N GLU A 87 6.169 -5.329 8.618 1.00 0.68 N ATOM 1271 CA GLU A 87 6.220 -4.102 9.400 1.00 0.60 C ATOM 1272 C GLU A 87 5.419 -3.019 8.690 1.00 0.61 C ATOM 1273 O GLU A 87 4.730 -2.212 9.312 1.00 0.62 O ATOM 1274 CB GLU A 87 7.678 -3.675 9.603 1.00 0.50 C ATOM 1275 CG GLU A 87 8.256 -4.376 10.838 1.00 0.46 C ATOM 1276 CD GLU A 87 9.501 -3.675 11.384 1.00 0.75 C ATOM 1277 OE1 GLU A 87 10.336 -3.244 10.559 1.00 2.01 O ATOM 1278 OE2 GLU A 87 9.613 -3.585 12.627 1.00 1.63 O ATOM 0 H GLU A 87 7.008 -5.481 8.059 1.00 0.68 H new ATOM 0 HA GLU A 87 5.780 -4.268 10.383 1.00 0.60 H new ATOM 0 HB2 GLU A 87 8.267 -3.927 8.721 1.00 0.50 H new ATOM 0 HB3 GLU A 87 7.736 -2.594 9.726 1.00 0.50 H new ATOM 0 HG2 GLU A 87 7.495 -4.416 11.617 1.00 0.46 H new ATOM 0 HG3 GLU A 87 8.506 -5.406 10.583 1.00 0.46 H new ATOM 1285 N ALA A 88 5.445 -3.039 7.362 1.00 0.63 N ATOM 1286 CA ALA A 88 4.550 -2.208 6.585 1.00 0.59 C ATOM 1287 C ALA A 88 3.127 -2.628 6.922 1.00 0.57 C ATOM 1288 O ALA A 88 2.294 -1.815 7.308 1.00 0.57 O ATOM 1289 CB ALA A 88 4.854 -2.377 5.095 1.00 0.60 C ATOM 0 H ALA A 88 6.075 -3.620 6.809 1.00 0.63 H new ATOM 0 HA ALA A 88 4.680 -1.152 6.822 1.00 0.59 H new ATOM 0 HB1 ALA A 88 4.179 -1.750 4.513 1.00 0.60 H new ATOM 0 HB2 ALA A 88 5.884 -2.081 4.898 1.00 0.60 H new ATOM 0 HB3 ALA A 88 4.716 -3.420 4.812 1.00 0.60 H new ATOM 1295 N TYR A 89 2.852 -3.922 6.787 1.00 0.59 N ATOM 1296 CA TYR A 89 1.530 -4.488 6.912 1.00 0.67 C ATOM 1297 C TYR A 89 1.050 -4.433 8.363 1.00 0.66 C ATOM 1298 O TYR A 89 -0.153 -4.350 8.574 1.00 0.69 O ATOM 1299 CB TYR A 89 1.558 -5.901 6.308 1.00 0.78 C ATOM 1300 CG TYR A 89 1.503 -5.970 4.778 1.00 0.84 C ATOM 1301 CD1 TYR A 89 0.916 -7.086 4.148 1.00 1.77 C ATOM 1302 CD2 TYR A 89 2.057 -4.951 3.970 1.00 2.24 C ATOM 1303 CE1 TYR A 89 0.902 -7.185 2.743 1.00 1.73 C ATOM 1304 CE2 TYR A 89 2.051 -5.047 2.569 1.00 2.34 C ATOM 1305 CZ TYR A 89 1.478 -6.175 1.946 1.00 1.00 C ATOM 1306 OH TYR A 89 1.487 -6.299 0.588 1.00 1.10 O ATOM 0 H TYR A 89 3.569 -4.618 6.582 1.00 0.59 H new ATOM 0 HA TYR A 89 0.795 -3.906 6.356 1.00 0.67 H new ATOM 0 HB2 TYR A 89 2.466 -6.402 6.644 1.00 0.78 H new ATOM 0 HB3 TYR A 89 0.716 -6.465 6.709 1.00 0.78 H new ATOM 0 HD1 TYR A 89 0.475 -7.870 4.746 1.00 1.77 H new ATOM 0 HD2 TYR A 89 2.493 -4.082 4.439 1.00 2.24 H new ATOM 0 HE1 TYR A 89 0.446 -8.043 2.272 1.00 1.73 H new ATOM 0 HE2 TYR A 89 2.484 -4.259 1.970 1.00 2.34 H new ATOM 0 HH TYR A 89 1.921 -5.515 0.191 1.00 1.10 H new ATOM 1316 N GLU A 90 1.933 -4.405 9.367 1.00 0.63 N ATOM 1317 CA GLU A 90 1.484 -4.254 10.754 1.00 0.63 C ATOM 1318 C GLU A 90 1.158 -2.804 11.039 1.00 0.56 C ATOM 1319 O GLU A 90 0.193 -2.522 11.739 1.00 0.58 O ATOM 1320 CB GLU A 90 2.446 -4.831 11.808 1.00 0.67 C ATOM 1321 CG GLU A 90 3.705 -3.986 12.056 1.00 2.12 C ATOM 1322 CD GLU A 90 3.605 -2.909 13.155 1.00 3.04 C ATOM 1323 OE1 GLU A 90 4.029 -1.749 12.915 1.00 4.49 O ATOM 1324 OE2 GLU A 90 3.156 -3.254 14.271 1.00 2.77 O ATOM 0 H GLU A 90 2.943 -4.483 9.249 1.00 0.63 H new ATOM 0 HA GLU A 90 0.582 -4.859 10.846 1.00 0.63 H new ATOM 0 HB2 GLU A 90 1.908 -4.942 12.749 1.00 0.67 H new ATOM 0 HB3 GLU A 90 2.751 -5.830 11.495 1.00 0.67 H new ATOM 0 HG2 GLU A 90 4.523 -4.659 12.312 1.00 2.12 H new ATOM 0 HG3 GLU A 90 3.976 -3.495 11.121 1.00 2.12 H new ATOM 1331 N SER A 91 1.933 -1.878 10.481 1.00 0.51 N ATOM 1332 CA SER A 91 1.628 -0.472 10.618 1.00 0.50 C ATOM 1333 C SER A 91 0.286 -0.191 9.942 1.00 0.55 C ATOM 1334 O SER A 91 -0.553 0.493 10.514 1.00 0.59 O ATOM 1335 CB SER A 91 2.776 0.360 10.052 1.00 0.47 C ATOM 1336 OG SER A 91 3.882 0.333 10.938 1.00 0.86 O ATOM 0 H SER A 91 2.770 -2.082 9.935 1.00 0.51 H new ATOM 0 HA SER A 91 1.530 -0.190 11.666 1.00 0.50 H new ATOM 0 HB2 SER A 91 3.071 -0.029 9.078 1.00 0.47 H new ATOM 0 HB3 SER A 91 2.449 1.388 9.898 1.00 0.47 H new ATOM 0 HG SER A 91 3.792 -0.427 11.550 1.00 0.86 H new ATOM 1342 N ILE A 92 0.038 -0.754 8.756 1.00 0.58 N ATOM 1343 CA ILE A 92 -1.220 -0.563 8.049 1.00 0.62 C ATOM 1344 C ILE A 92 -2.343 -1.159 8.894 1.00 0.57 C ATOM 1345 O ILE A 92 -3.367 -0.525 9.126 1.00 0.54 O ATOM 1346 CB ILE A 92 -1.121 -1.193 6.637 1.00 0.68 C ATOM 1347 CG1 ILE A 92 -0.730 -0.155 5.564 1.00 0.88 C ATOM 1348 CG2 ILE A 92 -2.415 -1.875 6.183 1.00 0.73 C ATOM 1349 CD1 ILE A 92 0.758 -0.208 5.217 1.00 1.20 C ATOM 0 H ILE A 92 0.704 -1.351 8.265 1.00 0.58 H new ATOM 0 HA ILE A 92 -1.439 0.495 7.903 1.00 0.62 H new ATOM 0 HB ILE A 92 -0.341 -1.948 6.733 1.00 0.68 H new ATOM 0 HG12 ILE A 92 -1.317 -0.330 4.662 1.00 0.88 H new ATOM 0 HG13 ILE A 92 -0.982 0.844 5.920 1.00 0.88 H new ATOM 0 HG21 ILE A 92 -2.275 -2.294 5.187 1.00 0.73 H new ATOM 0 HG22 ILE A 92 -2.669 -2.673 6.880 1.00 0.73 H new ATOM 0 HG23 ILE A 92 -3.223 -1.143 6.159 1.00 0.73 H new ATOM 0 HD11 ILE A 92 0.981 0.542 4.458 1.00 1.20 H new ATOM 0 HD12 ILE A 92 1.348 -0.006 6.111 1.00 1.20 H new ATOM 0 HD13 ILE A 92 1.007 -1.198 4.834 1.00 1.20 H new ATOM 1361 N ALA A 93 -2.166 -2.401 9.328 1.00 0.61 N ATOM 1362 CA ALA A 93 -3.248 -3.193 9.889 1.00 0.68 C ATOM 1363 C ALA A 93 -3.678 -2.612 11.228 1.00 0.68 C ATOM 1364 O ALA A 93 -4.863 -2.409 11.484 1.00 0.73 O ATOM 1365 CB ALA A 93 -2.791 -4.642 10.024 1.00 0.78 C ATOM 0 H ALA A 93 -1.269 -2.885 9.300 1.00 0.61 H new ATOM 0 HA ALA A 93 -4.113 -3.167 9.227 1.00 0.68 H new ATOM 0 HB1 ALA A 93 -3.599 -5.241 10.444 1.00 0.78 H new ATOM 0 HB2 ALA A 93 -2.523 -5.032 9.042 1.00 0.78 H new ATOM 0 HB3 ALA A 93 -1.923 -4.690 10.682 1.00 0.78 H new ATOM 1371 N LYS A 94 -2.704 -2.296 12.077 1.00 0.66 N ATOM 1372 CA LYS A 94 -2.985 -1.618 13.326 1.00 0.67 C ATOM 1373 C LYS A 94 -3.675 -0.302 13.019 1.00 0.67 C ATOM 1374 O LYS A 94 -4.711 -0.035 13.607 1.00 0.77 O ATOM 1375 CB LYS A 94 -1.708 -1.447 14.152 1.00 0.67 C ATOM 1376 CG LYS A 94 -1.233 -2.828 14.622 1.00 1.23 C ATOM 1377 CD LYS A 94 0.077 -2.730 15.401 1.00 1.78 C ATOM 1378 CE LYS A 94 0.540 -4.149 15.744 1.00 2.78 C ATOM 1379 NZ LYS A 94 1.800 -4.142 16.512 1.00 3.62 N ATOM 0 H LYS A 94 -1.717 -2.501 11.918 1.00 0.66 H new ATOM 0 HA LYS A 94 -3.657 -2.217 13.941 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -0.934 -0.965 13.555 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -1.897 -0.801 15.009 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -1.999 -3.284 15.250 1.00 1.23 H new ATOM 0 HG3 LYS A 94 -1.098 -3.481 13.760 1.00 1.23 H new ATOM 0 HD2 LYS A 94 0.834 -2.217 14.808 1.00 1.78 H new ATOM 0 HD3 LYS A 94 -0.065 -2.147 16.311 1.00 1.78 H new ATOM 0 HE2 LYS A 94 -0.235 -4.655 16.320 1.00 2.78 H new ATOM 0 HE3 LYS A 94 0.677 -4.719 14.825 1.00 2.78 H new ATOM 0 HZ1 LYS A 94 2.011 -5.106 16.842 1.00 3.62 H new ATOM 0 HZ2 LYS A 94 2.575 -3.806 15.905 1.00 3.62 H new ATOM 0 HZ3 LYS A 94 1.704 -3.509 17.332 1.00 3.62 H new ATOM 1393 N ILE A 95 -3.200 0.466 12.034 1.00 0.60 N ATOM 1394 CA ILE A 95 -3.814 1.756 11.724 1.00 0.56 C ATOM 1395 C ILE A 95 -5.271 1.576 11.299 1.00 0.57 C ATOM 1396 O ILE A 95 -6.097 2.448 11.560 1.00 0.57 O ATOM 1397 CB ILE A 95 -2.962 2.509 10.679 1.00 0.53 C ATOM 1398 CG1 ILE A 95 -1.732 3.107 11.392 1.00 0.65 C ATOM 1399 CG2 ILE A 95 -3.714 3.634 9.952 1.00 0.82 C ATOM 1400 CD1 ILE A 95 -0.675 3.653 10.423 1.00 0.60 C ATOM 0 H ILE A 95 -2.404 0.220 11.446 1.00 0.60 H new ATOM 0 HA ILE A 95 -3.836 2.375 12.621 1.00 0.56 H new ATOM 0 HB ILE A 95 -2.682 1.783 9.915 1.00 0.53 H new ATOM 0 HG12 ILE A 95 -2.058 3.910 12.053 1.00 0.65 H new ATOM 0 HG13 ILE A 95 -1.277 2.342 12.021 1.00 0.65 H new ATOM 0 HG21 ILE A 95 -3.047 4.113 9.235 1.00 0.82 H new ATOM 0 HG22 ILE A 95 -4.573 3.217 9.426 1.00 0.82 H new ATOM 0 HG23 ILE A 95 -4.057 4.371 10.678 1.00 0.82 H new ATOM 0 HD11 ILE A 95 0.163 4.059 10.990 1.00 0.60 H new ATOM 0 HD12 ILE A 95 -0.322 2.848 9.779 1.00 0.60 H new ATOM 0 HD13 ILE A 95 -1.115 4.441 9.811 1.00 0.60 H new ATOM 1412 N VAL A 96 -5.616 0.468 10.649 1.00 0.59 N ATOM 1413 CA VAL A 96 -6.963 0.217 10.187 1.00 0.59 C ATOM 1414 C VAL A 96 -7.859 -0.051 11.389 1.00 0.67 C ATOM 1415 O VAL A 96 -8.999 0.405 11.424 1.00 0.65 O ATOM 1416 CB VAL A 96 -6.905 -0.947 9.187 1.00 0.67 C ATOM 1417 CG1 VAL A 96 -8.259 -1.618 8.956 1.00 0.84 C ATOM 1418 CG2 VAL A 96 -6.379 -0.440 7.838 1.00 0.62 C ATOM 0 H VAL A 96 -4.959 -0.281 10.430 1.00 0.59 H new ATOM 0 HA VAL A 96 -7.393 1.075 9.671 1.00 0.59 H new ATOM 0 HB VAL A 96 -6.239 -1.692 9.622 1.00 0.67 H new ATOM 0 HG11 VAL A 96 -8.145 -2.431 8.239 1.00 0.84 H new ATOM 0 HG12 VAL A 96 -8.634 -2.016 9.899 1.00 0.84 H new ATOM 0 HG13 VAL A 96 -8.966 -0.886 8.565 1.00 0.84 H new ATOM 0 HG21 VAL A 96 -6.338 -1.267 7.129 1.00 0.62 H new ATOM 0 HG22 VAL A 96 -7.045 0.333 7.455 1.00 0.62 H new ATOM 0 HG23 VAL A 96 -5.379 -0.026 7.970 1.00 0.62 H new ATOM 1428 N ASN A 97 -7.355 -0.765 12.391 1.00 0.78 N ATOM 1429 CA ASN A 97 -8.174 -1.144 13.535 1.00 0.95 C ATOM 1430 C ASN A 97 -8.303 0.045 14.475 1.00 0.96 C ATOM 1431 O ASN A 97 -9.363 0.252 15.060 1.00 1.06 O ATOM 1432 CB ASN A 97 -7.593 -2.368 14.260 1.00 1.11 C ATOM 1433 CG ASN A 97 -8.063 -3.663 13.603 1.00 1.40 C ATOM 1434 OD1 ASN A 97 -8.307 -3.701 12.406 1.00 2.32 O ATOM 1435 ND2 ASN A 97 -8.235 -4.737 14.364 1.00 1.56 N ATOM 0 H ASN A 97 -6.389 -1.091 12.433 1.00 0.78 H new ATOM 0 HA ASN A 97 -9.165 -1.428 13.182 1.00 0.95 H new ATOM 0 HB2 ASN A 97 -6.504 -2.322 14.245 1.00 1.11 H new ATOM 0 HB3 ASN A 97 -7.898 -2.355 15.306 1.00 1.11 H new ATOM 0 HD21 ASN A 97 -8.574 -5.606 13.951 1.00 1.56 H new ATOM 0 HD22 ASN A 97 -8.028 -4.693 15.362 1.00 1.56 H new ATOM 1442 N ASP A 98 -7.238 0.841 14.570 1.00 0.87 N ATOM 1443 CA ASP A 98 -7.126 2.025 15.399 1.00 0.92 C ATOM 1444 C ASP A 98 -8.147 3.039 14.912 1.00 0.94 C ATOM 1445 O ASP A 98 -8.875 3.641 15.697 1.00 1.07 O ATOM 1446 CB ASP A 98 -5.715 2.617 15.260 1.00 0.84 C ATOM 1447 CG ASP A 98 -4.627 1.840 16.004 1.00 2.08 C ATOM 1448 OD1 ASP A 98 -4.963 1.214 17.033 1.00 3.10 O ATOM 1449 OD2 ASP A 98 -3.463 1.912 15.546 1.00 2.94 O ATOM 0 H ASP A 98 -6.387 0.660 14.038 1.00 0.87 H new ATOM 0 HA ASP A 98 -7.306 1.774 16.444 1.00 0.92 H new ATOM 0 HB2 ASP A 98 -5.455 2.660 14.202 1.00 0.84 H new ATOM 0 HB3 ASP A 98 -5.727 3.643 15.627 1.00 0.84 H new ATOM 1454 N ASN A 99 -8.207 3.233 13.594 1.00 0.80 N ATOM 1455 CA ASN A 99 -9.167 4.129 12.995 1.00 0.81 C ATOM 1456 C ASN A 99 -10.532 3.465 12.842 1.00 0.84 C ATOM 1457 O ASN A 99 -11.518 4.132 12.536 1.00 0.85 O ATOM 1458 CB ASN A 99 -8.641 4.512 11.627 1.00 0.83 C ATOM 1459 CG ASN A 99 -7.648 5.657 11.706 1.00 1.27 C ATOM 1460 OD1 ASN A 99 -8.022 6.813 11.845 1.00 1.13 O ATOM 1461 ND2 ASN A 99 -6.361 5.365 11.612 1.00 3.13 N ATOM 0 H ASN A 99 -7.591 2.772 12.925 1.00 0.80 H new ATOM 0 HA ASN A 99 -9.295 5.002 13.635 1.00 0.81 H new ATOM 0 HB2 ASN A 99 -8.163 3.648 11.166 1.00 0.83 H new ATOM 0 HB3 ASN A 99 -9.474 4.797 10.984 1.00 0.83 H new ATOM 0 HD21 ASN A 99 -5.665 6.109 11.655 1.00 3.13 H new ATOM 0 HD22 ASN A 99 -6.065 4.396 11.496 1.00 3.13 H new ATOM 1468 N ASN A 100 -10.587 2.146 13.024 1.00 0.89 N ATOM 1469 CA ASN A 100 -11.789 1.348 12.921 1.00 0.92 C ATOM 1470 C ASN A 100 -12.413 1.486 11.541 1.00 0.82 C ATOM 1471 O ASN A 100 -13.618 1.685 11.409 1.00 0.81 O ATOM 1472 CB ASN A 100 -12.753 1.758 14.037 1.00 1.00 C ATOM 1473 CG ASN A 100 -13.674 0.611 14.402 1.00 1.15 C ATOM 1474 OD1 ASN A 100 -14.869 0.645 14.131 1.00 1.43 O ATOM 1475 ND2 ASN A 100 -13.120 -0.424 15.022 1.00 2.23 N ATOM 0 H ASN A 100 -9.762 1.593 13.255 1.00 0.89 H new ATOM 0 HA ASN A 100 -11.547 0.293 13.045 1.00 0.92 H new ATOM 0 HB2 ASN A 100 -12.188 2.070 14.915 1.00 1.00 H new ATOM 0 HB3 ASN A 100 -13.343 2.616 13.716 1.00 1.00 H new ATOM 0 HD21 ASN A 100 -13.693 -1.225 15.289 1.00 2.23 H new ATOM 0 HD22 ASN A 100 -12.122 -0.418 15.232 1.00 2.23 H new ATOM 1482 N TYR A 101 -11.600 1.415 10.492 1.00 0.78 N ATOM 1483 CA TYR A 101 -12.134 1.480 9.146 1.00 0.76 C ATOM 1484 C TYR A 101 -12.911 0.211 8.836 1.00 0.93 C ATOM 1485 O TYR A 101 -12.462 -0.897 9.109 1.00 1.16 O ATOM 1486 CB TYR A 101 -11.029 1.709 8.124 1.00 0.84 C ATOM 1487 CG TYR A 101 -10.235 2.990 8.310 1.00 0.68 C ATOM 1488 CD1 TYR A 101 -10.893 4.203 8.590 1.00 2.12 C ATOM 1489 CD2 TYR A 101 -8.835 2.976 8.172 1.00 1.95 C ATOM 1490 CE1 TYR A 101 -10.164 5.401 8.671 1.00 2.23 C ATOM 1491 CE2 TYR A 101 -8.090 4.161 8.301 1.00 1.95 C ATOM 1492 CZ TYR A 101 -8.758 5.383 8.544 1.00 0.94 C ATOM 1493 OH TYR A 101 -8.061 6.537 8.734 1.00 1.29 O ATOM 0 H TYR A 101 -10.587 1.314 10.550 1.00 0.78 H new ATOM 0 HA TYR A 101 -12.813 2.330 9.084 1.00 0.76 H new ATOM 0 HB2 TYR A 101 -10.341 0.865 8.161 1.00 0.84 H new ATOM 0 HB3 TYR A 101 -11.472 1.716 7.128 1.00 0.84 H new ATOM 0 HD1 TYR A 101 -11.962 4.212 8.743 1.00 2.12 H new ATOM 0 HD2 TYR A 101 -8.328 2.045 7.965 1.00 1.95 H new ATOM 0 HE1 TYR A 101 -10.679 6.337 8.831 1.00 2.23 H new ATOM 0 HE2 TYR A 101 -7.014 4.138 8.215 1.00 1.95 H new ATOM 0 HH TYR A 101 -7.100 6.345 8.722 1.00 1.29 H new ATOM 1503 N LYS A 102 -14.089 0.401 8.242 1.00 0.97 N ATOM 1504 CA LYS A 102 -14.916 -0.665 7.726 1.00 1.22 C ATOM 1505 C LYS A 102 -14.225 -1.188 6.476 1.00 1.00 C ATOM 1506 O LYS A 102 -14.045 -2.389 6.312 1.00 1.30 O ATOM 1507 CB LYS A 102 -16.317 -0.129 7.387 1.00 1.60 C ATOM 1508 CG LYS A 102 -17.184 0.221 8.610 1.00 1.86 C ATOM 1509 CD LYS A 102 -17.145 1.685 9.088 1.00 2.53 C ATOM 1510 CE LYS A 102 -15.826 2.042 9.777 1.00 2.50 C ATOM 1511 NZ LYS A 102 -15.984 2.949 10.933 1.00 3.40 N ATOM 0 H LYS A 102 -14.496 1.327 8.108 1.00 0.97 H new ATOM 0 HA LYS A 102 -15.040 -1.461 8.460 1.00 1.22 H new ATOM 0 HB2 LYS A 102 -16.211 0.761 6.767 1.00 1.60 H new ATOM 0 HB3 LYS A 102 -16.841 -0.874 6.788 1.00 1.60 H new ATOM 0 HG2 LYS A 102 -18.218 -0.034 8.379 1.00 1.86 H new ATOM 0 HG3 LYS A 102 -16.876 -0.416 9.439 1.00 1.86 H new ATOM 0 HD2 LYS A 102 -17.296 2.346 8.235 1.00 2.53 H new ATOM 0 HD3 LYS A 102 -17.971 1.861 9.778 1.00 2.53 H new ATOM 0 HE2 LYS A 102 -15.341 1.125 10.110 1.00 2.50 H new ATOM 0 HE3 LYS A 102 -15.161 2.508 9.050 1.00 2.50 H new ATOM 0 HZ1 LYS A 102 -15.168 2.846 11.569 1.00 3.40 H new ATOM 0 HZ2 LYS A 102 -16.040 3.932 10.598 1.00 3.40 H new ATOM 0 HZ3 LYS A 102 -16.856 2.708 11.446 1.00 3.40 H new ATOM 1525 N SER A 103 -13.809 -0.238 5.638 1.00 0.74 N ATOM 1526 CA SER A 103 -13.259 -0.452 4.321 1.00 0.58 C ATOM 1527 C SER A 103 -12.213 0.623 4.073 1.00 0.51 C ATOM 1528 O SER A 103 -12.386 1.752 4.532 1.00 0.67 O ATOM 1529 CB SER A 103 -14.409 -0.321 3.318 1.00 0.81 C ATOM 1530 OG SER A 103 -15.054 0.932 3.508 1.00 1.32 O ATOM 0 H SER A 103 -13.854 0.751 5.884 1.00 0.74 H new ATOM 0 HA SER A 103 -12.796 -1.434 4.222 1.00 0.58 H new ATOM 0 HB2 SER A 103 -14.029 -0.397 2.299 1.00 0.81 H new ATOM 0 HB3 SER A 103 -15.121 -1.135 3.455 1.00 0.81 H new ATOM 0 HG SER A 103 -15.790 1.022 2.867 1.00 1.32 H new ATOM 1536 N VAL A 104 -11.166 0.297 3.322 1.00 0.46 N ATOM 1537 CA VAL A 104 -10.124 1.206 2.892 1.00 0.59 C ATOM 1538 C VAL A 104 -9.713 0.784 1.491 1.00 0.63 C ATOM 1539 O VAL A 104 -9.947 -0.370 1.136 1.00 0.82 O ATOM 1540 CB VAL A 104 -8.917 1.104 3.836 1.00 0.69 C ATOM 1541 CG1 VAL A 104 -9.004 2.173 4.922 1.00 1.91 C ATOM 1542 CG2 VAL A 104 -8.760 -0.278 4.490 1.00 1.80 C ATOM 0 H VAL A 104 -11.020 -0.654 2.984 1.00 0.46 H new ATOM 0 HA VAL A 104 -10.481 2.236 2.903 1.00 0.59 H new ATOM 0 HB VAL A 104 -8.036 1.262 3.214 1.00 0.69 H new ATOM 0 HG11 VAL A 104 -8.142 2.090 5.584 1.00 1.91 H new ATOM 0 HG12 VAL A 104 -9.013 3.160 4.461 1.00 1.91 H new ATOM 0 HG13 VAL A 104 -9.919 2.033 5.498 1.00 1.91 H new ATOM 0 HG21 VAL A 104 -7.887 -0.275 5.143 1.00 1.80 H new ATOM 0 HG22 VAL A 104 -9.650 -0.507 5.076 1.00 1.80 H new ATOM 0 HG23 VAL A 104 -8.631 -1.034 3.716 1.00 1.80 H new ATOM 1552 N ALA A 105 -9.078 1.680 0.726 1.00 0.55 N ATOM 1553 CA ALA A 105 -8.437 1.305 -0.523 1.00 0.55 C ATOM 1554 C ALA A 105 -6.968 1.006 -0.253 1.00 0.51 C ATOM 1555 O ALA A 105 -6.232 1.883 0.197 1.00 0.55 O ATOM 1556 CB ALA A 105 -8.536 2.443 -1.533 1.00 0.59 C ATOM 0 H ALA A 105 -8.999 2.670 0.958 1.00 0.55 H new ATOM 0 HA ALA A 105 -8.936 0.426 -0.930 1.00 0.55 H new ATOM 0 HB1 ALA A 105 -8.051 2.147 -2.463 1.00 0.59 H new ATOM 0 HB2 ALA A 105 -9.585 2.668 -1.726 1.00 0.59 H new ATOM 0 HB3 ALA A 105 -8.043 3.329 -1.133 1.00 0.59 H new ATOM 1562 N ILE A 106 -6.530 -0.210 -0.576 1.00 0.60 N ATOM 1563 CA ILE A 106 -5.138 -0.618 -0.481 1.00 0.67 C ATOM 1564 C ILE A 106 -4.680 -1.047 -1.878 1.00 0.81 C ATOM 1565 O ILE A 106 -5.355 -1.849 -2.524 1.00 1.11 O ATOM 1566 CB ILE A 106 -4.937 -1.754 0.547 1.00 0.87 C ATOM 1567 CG1 ILE A 106 -6.120 -2.735 0.656 1.00 2.52 C ATOM 1568 CG2 ILE A 106 -4.573 -1.221 1.936 1.00 1.93 C ATOM 1569 CD1 ILE A 106 -7.254 -2.292 1.589 1.00 4.41 C ATOM 0 H ILE A 106 -7.146 -0.948 -0.916 1.00 0.60 H new ATOM 0 HA ILE A 106 -4.536 0.218 -0.125 1.00 0.67 H new ATOM 0 HB ILE A 106 -4.096 -2.322 0.149 1.00 0.87 H new ATOM 0 HG12 ILE A 106 -6.532 -2.894 -0.340 1.00 2.52 H new ATOM 0 HG13 ILE A 106 -5.742 -3.697 1.001 1.00 2.52 H new ATOM 0 HG21 ILE A 106 -4.442 -2.057 2.624 1.00 1.93 H new ATOM 0 HG22 ILE A 106 -3.645 -0.652 1.876 1.00 1.93 H new ATOM 0 HG23 ILE A 106 -5.372 -0.575 2.299 1.00 1.93 H new ATOM 0 HD11 ILE A 106 -8.037 -3.050 1.596 1.00 4.41 H new ATOM 0 HD12 ILE A 106 -6.865 -2.163 2.599 1.00 4.41 H new ATOM 0 HD13 ILE A 106 -7.667 -1.347 1.236 1.00 4.41 H new ATOM 1581 N PRO A 107 -3.559 -0.514 -2.379 1.00 0.70 N ATOM 1582 CA PRO A 107 -2.952 -0.984 -3.610 1.00 0.79 C ATOM 1583 C PRO A 107 -2.141 -2.256 -3.333 1.00 0.80 C ATOM 1584 O PRO A 107 -2.109 -2.756 -2.209 1.00 0.87 O ATOM 1585 CB PRO A 107 -2.066 0.181 -4.056 1.00 0.80 C ATOM 1586 CG PRO A 107 -1.578 0.751 -2.726 1.00 0.72 C ATOM 1587 CD PRO A 107 -2.790 0.579 -1.809 1.00 0.66 C ATOM 0 HA PRO A 107 -3.673 -1.252 -4.382 1.00 0.79 H new ATOM 0 HB2 PRO A 107 -1.239 -0.154 -4.682 1.00 0.80 H new ATOM 0 HB3 PRO A 107 -2.624 0.918 -4.633 1.00 0.80 H new ATOM 0 HG2 PRO A 107 -0.709 0.211 -2.351 1.00 0.72 H new ATOM 0 HG3 PRO A 107 -1.288 1.798 -2.818 1.00 0.72 H new ATOM 0 HD2 PRO A 107 -2.481 0.351 -0.789 1.00 0.66 H new ATOM 0 HD3 PRO A 107 -3.381 1.494 -1.765 1.00 0.66 H new ATOM 1595 N LEU A 108 -1.441 -2.765 -4.350 1.00 0.88 N ATOM 1596 CA LEU A 108 -0.586 -3.939 -4.247 1.00 0.95 C ATOM 1597 C LEU A 108 0.785 -3.550 -4.772 1.00 1.07 C ATOM 1598 O LEU A 108 0.898 -3.020 -5.875 1.00 1.31 O ATOM 1599 CB LEU A 108 -1.179 -5.089 -5.067 1.00 1.14 C ATOM 1600 CG LEU A 108 -2.341 -5.755 -4.324 1.00 1.30 C ATOM 1601 CD1 LEU A 108 -3.266 -6.443 -5.322 1.00 1.84 C ATOM 1602 CD2 LEU A 108 -1.824 -6.803 -3.336 1.00 1.62 C ATOM 0 H LEU A 108 -1.457 -2.360 -5.286 1.00 0.88 H new ATOM 0 HA LEU A 108 -0.508 -4.277 -3.214 1.00 0.95 H new ATOM 0 HB2 LEU A 108 -1.527 -4.712 -6.029 1.00 1.14 H new ATOM 0 HB3 LEU A 108 -0.405 -5.828 -5.275 1.00 1.14 H new ATOM 0 HG LEU A 108 -2.882 -4.981 -3.779 1.00 1.30 H new ATOM 0 HD11 LEU A 108 -4.091 -6.915 -4.788 1.00 1.84 H new ATOM 0 HD12 LEU A 108 -3.661 -5.705 -6.020 1.00 1.84 H new ATOM 0 HD13 LEU A 108 -2.709 -7.201 -5.872 1.00 1.84 H new ATOM 0 HD21 LEU A 108 -2.666 -7.263 -2.820 1.00 1.62 H new ATOM 0 HD22 LEU A 108 -1.267 -7.569 -3.876 1.00 1.62 H new ATOM 0 HD23 LEU A 108 -1.169 -6.325 -2.608 1.00 1.62 H new ATOM 1614 N LEU A 109 1.813 -3.757 -3.951 1.00 1.17 N ATOM 1615 CA LEU A 109 3.179 -3.356 -4.233 1.00 1.41 C ATOM 1616 C LEU A 109 4.140 -4.405 -3.672 1.00 0.99 C ATOM 1617 O LEU A 109 3.710 -5.475 -3.239 1.00 1.03 O ATOM 1618 CB LEU A 109 3.402 -1.921 -3.718 1.00 2.37 C ATOM 1619 CG LEU A 109 3.063 -1.679 -2.234 1.00 1.45 C ATOM 1620 CD1 LEU A 109 4.266 -1.915 -1.317 1.00 2.83 C ATOM 1621 CD2 LEU A 109 2.586 -0.234 -2.076 1.00 2.05 C ATOM 0 H LEU A 109 1.710 -4.221 -3.049 1.00 1.17 H new ATOM 0 HA LEU A 109 3.380 -3.319 -5.304 1.00 1.41 H new ATOM 0 HB2 LEU A 109 4.447 -1.656 -3.880 1.00 2.37 H new ATOM 0 HB3 LEU A 109 2.803 -1.241 -4.323 1.00 2.37 H new ATOM 0 HG LEU A 109 2.287 -2.387 -1.943 1.00 1.45 H new ATOM 0 HD11 LEU A 109 3.976 -1.732 -0.282 1.00 2.83 H new ATOM 0 HD12 LEU A 109 4.607 -2.945 -1.421 1.00 2.83 H new ATOM 0 HD13 LEU A 109 5.073 -1.236 -1.593 1.00 2.83 H new ATOM 0 HD21 LEU A 109 2.341 -0.044 -1.031 1.00 2.05 H new ATOM 0 HD22 LEU A 109 3.376 0.447 -2.393 1.00 2.05 H new ATOM 0 HD23 LEU A 109 1.700 -0.074 -2.691 1.00 2.05 H new ATOM 1633 N SER A 110 5.443 -4.106 -3.690 1.00 1.08 N ATOM 1634 CA SER A 110 6.495 -5.026 -3.270 1.00 1.23 C ATOM 1635 C SER A 110 6.455 -6.328 -4.071 1.00 1.36 C ATOM 1636 O SER A 110 6.679 -7.409 -3.536 1.00 1.98 O ATOM 1637 CB SER A 110 6.437 -5.226 -1.751 1.00 1.91 C ATOM 1638 OG SER A 110 7.447 -6.105 -1.310 1.00 1.92 O ATOM 0 H SER A 110 5.798 -3.202 -4.003 1.00 1.08 H new ATOM 0 HA SER A 110 7.469 -4.590 -3.492 1.00 1.23 H new ATOM 0 HB2 SER A 110 6.546 -4.264 -1.251 1.00 1.91 H new ATOM 0 HB3 SER A 110 5.461 -5.621 -1.471 1.00 1.91 H new ATOM 0 HG SER A 110 7.468 -6.896 -1.888 1.00 1.92 H new ATOM 1644 N THR A 111 6.247 -6.225 -5.382 1.00 1.28 N ATOM 1645 CA THR A 111 6.163 -7.405 -6.229 1.00 1.90 C ATOM 1646 C THR A 111 6.720 -7.082 -7.627 1.00 2.04 C ATOM 1647 O THR A 111 6.336 -7.644 -8.646 1.00 2.79 O ATOM 1648 CB THR A 111 4.712 -7.921 -6.120 1.00 2.41 C ATOM 1649 OG1 THR A 111 4.752 -9.243 -5.650 1.00 4.40 O ATOM 1650 CG2 THR A 111 3.854 -7.889 -7.386 1.00 1.41 C ATOM 0 H THR A 111 6.134 -5.340 -5.876 1.00 1.28 H new ATOM 0 HA THR A 111 6.794 -8.238 -5.919 1.00 1.90 H new ATOM 0 HB THR A 111 4.224 -7.218 -5.445 1.00 2.41 H new ATOM 0 HG1 THR A 111 5.076 -9.252 -4.725 1.00 4.40 H new ATOM 0 HG21 THR A 111 2.861 -8.280 -7.163 1.00 1.41 H new ATOM 0 HG22 THR A 111 3.768 -6.862 -7.742 1.00 1.41 H new ATOM 0 HG23 THR A 111 4.320 -8.502 -8.157 1.00 1.41 H new ATOM 1658 N GLY A 112 7.684 -6.157 -7.675 1.00 2.18 N ATOM 1659 CA GLY A 112 8.337 -5.753 -8.906 1.00 2.42 C ATOM 1660 C GLY A 112 9.271 -4.590 -8.610 1.00 1.89 C ATOM 1661 O GLY A 112 10.459 -4.795 -8.406 1.00 2.93 O ATOM 0 H GLY A 112 8.030 -5.669 -6.849 1.00 2.18 H new ATOM 0 HA2 GLY A 112 8.897 -6.588 -9.327 1.00 2.42 H new ATOM 0 HA3 GLY A 112 7.594 -5.460 -9.648 1.00 2.42 H new ATOM 1665 N ILE A 113 8.735 -3.373 -8.510 1.00 1.14 N ATOM 1666 CA ILE A 113 9.545 -2.169 -8.322 1.00 0.96 C ATOM 1667 C ILE A 113 10.514 -2.290 -7.135 1.00 0.89 C ATOM 1668 O ILE A 113 11.669 -1.889 -7.240 1.00 1.28 O ATOM 1669 CB ILE A 113 8.647 -0.918 -8.251 1.00 1.69 C ATOM 1670 CG1 ILE A 113 7.716 -0.922 -7.023 1.00 2.29 C ATOM 1671 CG2 ILE A 113 7.830 -0.809 -9.549 1.00 2.81 C ATOM 1672 CD1 ILE A 113 6.773 0.283 -6.980 1.00 3.89 C ATOM 0 H ILE A 113 7.732 -3.194 -8.557 1.00 1.14 H new ATOM 0 HA ILE A 113 10.186 -2.055 -9.196 1.00 0.96 H new ATOM 0 HB ILE A 113 9.294 -0.048 -8.142 1.00 1.69 H new ATOM 0 HG12 ILE A 113 7.125 -1.838 -7.025 1.00 2.29 H new ATOM 0 HG13 ILE A 113 8.321 -0.935 -6.116 1.00 2.29 H new ATOM 0 HG21 ILE A 113 7.193 0.074 -9.505 1.00 2.81 H new ATOM 0 HG22 ILE A 113 8.507 -0.726 -10.399 1.00 2.81 H new ATOM 0 HG23 ILE A 113 7.210 -1.698 -9.665 1.00 2.81 H new ATOM 0 HD11 ILE A 113 6.144 0.221 -6.092 1.00 3.89 H new ATOM 0 HD12 ILE A 113 7.358 1.202 -6.947 1.00 3.89 H new ATOM 0 HD13 ILE A 113 6.144 0.285 -7.870 1.00 3.89 H new ATOM 1684 N PHE A 114 10.059 -2.856 -6.012 1.00 0.88 N ATOM 1685 CA PHE A 114 10.868 -3.013 -4.815 1.00 0.90 C ATOM 1686 C PHE A 114 11.456 -4.421 -4.725 1.00 0.86 C ATOM 1687 O PHE A 114 12.619 -4.599 -4.368 1.00 0.85 O ATOM 1688 CB PHE A 114 10.003 -2.679 -3.602 1.00 1.11 C ATOM 1689 CG PHE A 114 9.354 -1.312 -3.619 1.00 1.07 C ATOM 1690 CD1 PHE A 114 10.104 -0.178 -3.988 1.00 2.26 C ATOM 1691 CD2 PHE A 114 8.004 -1.167 -3.251 1.00 1.56 C ATOM 1692 CE1 PHE A 114 9.498 1.088 -4.024 1.00 2.30 C ATOM 1693 CE2 PHE A 114 7.397 0.100 -3.291 1.00 1.66 C ATOM 1694 CZ PHE A 114 8.141 1.226 -3.684 1.00 1.29 C ATOM 0 H PHE A 114 9.110 -3.218 -5.915 1.00 0.88 H new ATOM 0 HA PHE A 114 11.717 -2.330 -4.849 1.00 0.90 H new ATOM 0 HB2 PHE A 114 9.220 -3.432 -3.518 1.00 1.11 H new ATOM 0 HB3 PHE A 114 10.619 -2.758 -2.706 1.00 1.11 H new ATOM 0 HD1 PHE A 114 11.148 -0.283 -4.244 1.00 2.26 H new ATOM 0 HD2 PHE A 114 7.434 -2.029 -2.938 1.00 1.56 H new ATOM 0 HE1 PHE A 114 10.074 1.955 -4.313 1.00 2.30 H new ATOM 0 HE2 PHE A 114 6.357 0.209 -3.019 1.00 1.66 H new ATOM 0 HZ PHE A 114 7.670 2.197 -3.725 1.00 1.29 H new ATOM 1704 N SER A 115 10.646 -5.438 -5.014 1.00 0.89 N ATOM 1705 CA SER A 115 11.046 -6.835 -4.904 1.00 0.93 C ATOM 1706 C SER A 115 12.089 -7.239 -5.961 1.00 0.84 C ATOM 1707 O SER A 115 12.750 -8.266 -5.836 1.00 0.90 O ATOM 1708 CB SER A 115 9.790 -7.716 -4.951 1.00 1.11 C ATOM 1709 OG SER A 115 10.022 -8.988 -4.391 1.00 1.95 O ATOM 0 H SER A 115 9.686 -5.312 -5.334 1.00 0.89 H new ATOM 0 HA SER A 115 11.547 -6.982 -3.947 1.00 0.93 H new ATOM 0 HB2 SER A 115 8.980 -7.224 -4.412 1.00 1.11 H new ATOM 0 HB3 SER A 115 9.463 -7.828 -5.985 1.00 1.11 H new ATOM 0 HG SER A 115 10.283 -8.889 -3.452 1.00 1.95 H new ATOM 1715 N GLY A 116 12.254 -6.443 -7.017 1.00 0.98 N ATOM 1716 CA GLY A 116 13.094 -6.791 -8.146 1.00 1.01 C ATOM 1717 C GLY A 116 12.356 -7.806 -9.002 1.00 1.25 C ATOM 1718 O GLY A 116 11.527 -7.441 -9.834 1.00 2.25 O ATOM 0 H GLY A 116 11.802 -5.533 -7.107 1.00 0.98 H new ATOM 0 HA2 GLY A 116 13.329 -5.902 -8.731 1.00 1.01 H new ATOM 0 HA3 GLY A 116 14.041 -7.205 -7.800 1.00 1.01 H new ATOM 1722 N ASN A 117 12.632 -9.091 -8.792 1.00 1.25 N ATOM 1723 CA ASN A 117 11.903 -10.155 -9.459 1.00 1.57 C ATOM 1724 C ASN A 117 11.968 -11.397 -8.578 1.00 1.54 C ATOM 1725 O ASN A 117 13.065 -11.870 -8.284 1.00 2.18 O ATOM 1726 CB ASN A 117 12.513 -10.433 -10.837 1.00 2.48 C ATOM 1727 CG ASN A 117 11.607 -11.361 -11.635 1.00 3.04 C ATOM 1728 OD1 ASN A 117 11.316 -12.475 -11.220 1.00 3.15 O ATOM 1729 ND2 ASN A 117 11.116 -10.910 -12.782 1.00 4.06 N ATOM 0 H ASN A 117 13.362 -9.417 -8.159 1.00 1.25 H new ATOM 0 HA ASN A 117 10.864 -9.864 -9.611 1.00 1.57 H new ATOM 0 HB2 ASN A 117 12.653 -9.496 -11.377 1.00 2.48 H new ATOM 0 HB3 ASN A 117 13.498 -10.885 -10.722 1.00 2.48 H new ATOM 0 HD21 ASN A 117 10.486 -11.494 -13.332 1.00 4.06 H new ATOM 0 HD22 ASN A 117 11.368 -9.979 -13.114 1.00 4.06 H new ATOM 1736 N LYS A 118 10.804 -11.880 -8.130 1.00 1.71 N ATOM 1737 CA LYS A 118 10.629 -13.079 -7.313 1.00 1.99 C ATOM 1738 C LYS A 118 9.154 -13.173 -6.972 1.00 1.86 C ATOM 1739 O LYS A 118 8.443 -14.039 -7.471 1.00 2.90 O ATOM 1740 CB LYS A 118 11.460 -13.006 -6.015 1.00 2.76 C ATOM 1741 CG LYS A 118 12.680 -13.925 -6.079 1.00 3.42 C ATOM 1742 CD LYS A 118 13.758 -13.392 -5.133 1.00 4.47 C ATOM 1743 CE LYS A 118 15.001 -14.280 -5.161 1.00 5.31 C ATOM 1744 NZ LYS A 118 15.581 -14.347 -6.520 1.00 5.31 N ATOM 0 H LYS A 118 9.917 -11.421 -8.339 1.00 1.71 H new ATOM 0 HA LYS A 118 10.971 -13.955 -7.864 1.00 1.99 H new ATOM 0 HB2 LYS A 118 11.785 -11.979 -5.847 1.00 2.76 H new ATOM 0 HB3 LYS A 118 10.836 -13.286 -5.166 1.00 2.76 H new ATOM 0 HG2 LYS A 118 12.401 -14.940 -5.797 1.00 3.42 H new ATOM 0 HG3 LYS A 118 13.063 -13.971 -7.098 1.00 3.42 H new ATOM 0 HD2 LYS A 118 14.027 -12.375 -5.419 1.00 4.47 H new ATOM 0 HD3 LYS A 118 13.364 -13.344 -4.118 1.00 4.47 H new ATOM 0 HE2 LYS A 118 15.744 -13.892 -4.465 1.00 5.31 H new ATOM 0 HE3 LYS A 118 14.742 -15.284 -4.824 1.00 5.31 H new ATOM 0 HZ1 LYS A 118 16.544 -14.735 -6.468 1.00 5.31 H new ATOM 0 HZ2 LYS A 118 14.993 -14.961 -7.119 1.00 5.31 H new ATOM 0 HZ3 LYS A 118 15.614 -13.392 -6.931 1.00 5.31 H new ATOM 1758 N ASP A 119 8.733 -12.266 -6.095 1.00 1.79 N ATOM 1759 CA ASP A 119 7.419 -12.288 -5.490 1.00 1.56 C ATOM 1760 C ASP A 119 6.340 -11.949 -6.521 1.00 1.10 C ATOM 1761 O ASP A 119 6.664 -11.479 -7.613 1.00 1.48 O ATOM 1762 CB ASP A 119 7.421 -11.298 -4.322 1.00 2.14 C ATOM 1763 CG ASP A 119 6.173 -11.501 -3.496 1.00 2.91 C ATOM 1764 OD1 ASP A 119 5.483 -10.496 -3.219 1.00 3.85 O ATOM 1765 OD2 ASP A 119 5.891 -12.691 -3.242 1.00 3.54 O ATOM 0 H ASP A 119 9.311 -11.485 -5.784 1.00 1.79 H new ATOM 0 HA ASP A 119 7.188 -13.286 -5.118 1.00 1.56 H new ATOM 0 HB2 ASP A 119 8.308 -11.446 -3.705 1.00 2.14 H new ATOM 0 HB3 ASP A 119 7.461 -10.275 -4.697 1.00 2.14 H new ATOM 1770 N ARG A 120 5.061 -12.186 -6.201 1.00 0.93 N ATOM 1771 CA ARG A 120 3.957 -11.811 -7.081 1.00 1.17 C ATOM 1772 C ARG A 120 2.842 -11.170 -6.272 1.00 1.07 C ATOM 1773 O ARG A 120 2.804 -11.254 -5.048 1.00 1.05 O ATOM 1774 CB ARG A 120 3.413 -13.023 -7.847 1.00 1.76 C ATOM 1775 CG ARG A 120 4.442 -13.715 -8.743 1.00 2.08 C ATOM 1776 CD ARG A 120 4.883 -12.820 -9.905 1.00 2.77 C ATOM 1777 NE ARG A 120 5.827 -13.534 -10.774 1.00 3.40 N ATOM 1778 CZ ARG A 120 5.500 -14.346 -11.786 1.00 4.03 C ATOM 1779 NH1 ARG A 120 6.453 -14.989 -12.459 1.00 4.73 N ATOM 1780 NH2 ARG A 120 4.220 -14.522 -12.124 1.00 4.41 N ATOM 0 H ARG A 120 4.769 -12.638 -5.334 1.00 0.93 H new ATOM 0 HA ARG A 120 4.338 -11.095 -7.809 1.00 1.17 H new ATOM 0 HB2 ARG A 120 3.027 -13.748 -7.130 1.00 1.76 H new ATOM 0 HB3 ARG A 120 2.571 -12.702 -8.461 1.00 1.76 H new ATOM 0 HG2 ARG A 120 5.312 -13.993 -8.148 1.00 2.08 H new ATOM 0 HG3 ARG A 120 4.017 -14.638 -9.137 1.00 2.08 H new ATOM 0 HD2 ARG A 120 4.013 -12.508 -10.482 1.00 2.77 H new ATOM 0 HD3 ARG A 120 5.350 -11.914 -9.518 1.00 2.77 H new ATOM 0 HE ARG A 120 6.821 -13.399 -10.590 1.00 3.40 H new ATOM 0 HH11 ARG A 120 7.432 -14.862 -12.203 1.00 4.73 H new ATOM 0 HH12 ARG A 120 6.204 -15.608 -13.230 1.00 4.73 H new ATOM 0 HH21 ARG A 120 3.485 -14.036 -11.610 1.00 4.41 H new ATOM 0 HH22 ARG A 120 3.977 -15.142 -12.896 1.00 4.41 H new ATOM 1794 N LEU A 121 1.859 -10.598 -6.963 1.00 1.06 N ATOM 1795 CA LEU A 121 0.775 -9.902 -6.291 1.00 0.99 C ATOM 1796 C LEU A 121 -0.085 -10.900 -5.545 1.00 1.02 C ATOM 1797 O LEU A 121 -0.640 -10.566 -4.526 1.00 1.05 O ATOM 1798 CB LEU A 121 -0.075 -9.043 -7.231 1.00 1.04 C ATOM 1799 CG LEU A 121 -0.614 -9.777 -8.469 1.00 1.20 C ATOM 1800 CD1 LEU A 121 -2.083 -9.417 -8.698 1.00 2.04 C ATOM 1801 CD2 LEU A 121 0.204 -9.396 -9.707 1.00 1.64 C ATOM 0 H LEU A 121 1.794 -10.605 -7.981 1.00 1.06 H new ATOM 0 HA LEU A 121 1.230 -9.206 -5.587 1.00 0.99 H new ATOM 0 HB2 LEU A 121 -0.918 -8.641 -6.669 1.00 1.04 H new ATOM 0 HB3 LEU A 121 0.522 -8.193 -7.562 1.00 1.04 H new ATOM 0 HG LEU A 121 -0.530 -10.850 -8.299 1.00 1.20 H new ATOM 0 HD11 LEU A 121 -2.454 -9.943 -9.578 1.00 2.04 H new ATOM 0 HD12 LEU A 121 -2.669 -9.709 -7.827 1.00 2.04 H new ATOM 0 HD13 LEU A 121 -2.174 -8.342 -8.853 1.00 2.04 H new ATOM 0 HD21 LEU A 121 -0.187 -9.922 -10.578 1.00 1.64 H new ATOM 0 HD22 LEU A 121 0.135 -8.321 -9.872 1.00 1.64 H new ATOM 0 HD23 LEU A 121 1.247 -9.674 -9.554 1.00 1.64 H new ATOM 1813 N THR A 122 -0.174 -12.134 -6.005 1.00 1.03 N ATOM 1814 CA THR A 122 -0.771 -13.272 -5.348 1.00 1.03 C ATOM 1815 C THR A 122 -0.182 -13.518 -3.966 1.00 1.00 C ATOM 1816 O THR A 122 -0.861 -14.042 -3.090 1.00 1.01 O ATOM 1817 CB THR A 122 -0.538 -14.444 -6.299 1.00 1.11 C ATOM 1818 OG1 THR A 122 -1.043 -14.084 -7.569 1.00 1.22 O ATOM 1819 CG2 THR A 122 -1.206 -15.731 -5.823 1.00 1.31 C ATOM 0 H THR A 122 0.200 -12.381 -6.921 1.00 1.03 H new ATOM 0 HA THR A 122 -1.833 -13.115 -5.159 1.00 1.03 H new ATOM 0 HB THR A 122 0.532 -14.646 -6.340 1.00 1.11 H new ATOM 0 HG1 THR A 122 -0.903 -14.822 -8.198 1.00 1.22 H new ATOM 0 HG21 THR A 122 -1.007 -16.530 -6.537 1.00 1.31 H new ATOM 0 HG22 THR A 122 -0.807 -16.009 -4.847 1.00 1.31 H new ATOM 0 HG23 THR A 122 -2.282 -15.575 -5.744 1.00 1.31 H new ATOM 1827 N GLN A 123 1.079 -13.160 -3.757 1.00 0.98 N ATOM 1828 CA GLN A 123 1.683 -13.259 -2.445 1.00 0.97 C ATOM 1829 C GLN A 123 1.371 -11.998 -1.646 1.00 0.95 C ATOM 1830 O GLN A 123 0.841 -12.109 -0.541 1.00 0.94 O ATOM 1831 CB GLN A 123 3.182 -13.504 -2.576 1.00 1.01 C ATOM 1832 CG GLN A 123 3.505 -14.900 -3.129 1.00 1.38 C ATOM 1833 CD GLN A 123 3.247 -16.006 -2.107 1.00 2.23 C ATOM 1834 OE1 GLN A 123 4.136 -16.424 -1.378 1.00 2.42 O ATOM 1835 NE2 GLN A 123 2.030 -16.534 -2.040 1.00 4.15 N ATOM 0 H GLN A 123 1.699 -12.799 -4.482 1.00 0.98 H new ATOM 0 HA GLN A 123 1.265 -14.108 -1.904 1.00 0.97 H new ATOM 0 HB2 GLN A 123 3.614 -12.748 -3.232 1.00 1.01 H new ATOM 0 HB3 GLN A 123 3.653 -13.386 -1.600 1.00 1.01 H new ATOM 0 HG2 GLN A 123 2.903 -15.084 -4.019 1.00 1.38 H new ATOM 0 HG3 GLN A 123 4.549 -14.932 -3.439 1.00 1.38 H new ATOM 0 HE21 GLN A 123 1.289 -16.185 -2.648 1.00 4.15 H new ATOM 0 HE22 GLN A 123 1.837 -17.288 -1.381 1.00 4.15 H new ATOM 1844 N SER A 124 1.616 -10.803 -2.198 1.00 0.96 N ATOM 1845 CA SER A 124 1.357 -9.559 -1.479 1.00 1.01 C ATOM 1846 C SER A 124 -0.083 -9.522 -0.987 1.00 0.91 C ATOM 1847 O SER A 124 -0.357 -9.185 0.158 1.00 0.85 O ATOM 1848 CB SER A 124 1.624 -8.339 -2.370 1.00 1.19 C ATOM 1849 OG SER A 124 2.924 -8.367 -2.916 1.00 1.83 O ATOM 0 H SER A 124 1.992 -10.676 -3.138 1.00 0.96 H new ATOM 0 HA SER A 124 2.034 -9.522 -0.625 1.00 1.01 H new ATOM 0 HB2 SER A 124 0.891 -8.310 -3.176 1.00 1.19 H new ATOM 0 HB3 SER A 124 1.493 -7.427 -1.787 1.00 1.19 H new ATOM 0 HG SER A 124 3.249 -7.450 -3.034 1.00 1.83 H new ATOM 1855 N LEU A 125 -1.004 -9.911 -1.863 1.00 0.93 N ATOM 1856 CA LEU A 125 -2.430 -9.953 -1.627 1.00 0.94 C ATOM 1857 C LEU A 125 -2.730 -10.941 -0.533 1.00 0.94 C ATOM 1858 O LEU A 125 -3.616 -10.705 0.276 1.00 1.00 O ATOM 1859 CB LEU A 125 -3.225 -10.234 -2.919 1.00 1.02 C ATOM 1860 CG LEU A 125 -3.568 -11.710 -3.195 1.00 1.21 C ATOM 1861 CD1 LEU A 125 -4.769 -12.216 -2.384 1.00 1.07 C ATOM 1862 CD2 LEU A 125 -3.932 -11.869 -4.667 1.00 3.06 C ATOM 0 H LEU A 125 -0.756 -10.220 -2.803 1.00 0.93 H new ATOM 0 HA LEU A 125 -2.760 -8.969 -1.295 1.00 0.94 H new ATOM 0 HB2 LEU A 125 -4.155 -9.667 -2.880 1.00 1.02 H new ATOM 0 HB3 LEU A 125 -2.653 -9.851 -3.764 1.00 1.02 H new ATOM 0 HG LEU A 125 -2.688 -12.288 -2.911 1.00 1.21 H new ATOM 0 HD11 LEU A 125 -4.957 -13.262 -2.626 1.00 1.07 H new ATOM 0 HD12 LEU A 125 -4.554 -12.123 -1.319 1.00 1.07 H new ATOM 0 HD13 LEU A 125 -5.650 -11.623 -2.630 1.00 1.07 H new ATOM 0 HD21 LEU A 125 -4.176 -12.912 -4.871 1.00 3.06 H new ATOM 0 HD22 LEU A 125 -4.793 -11.243 -4.899 1.00 3.06 H new ATOM 0 HD23 LEU A 125 -3.087 -11.567 -5.285 1.00 3.06 H new ATOM 1874 N ASN A 126 -2.009 -12.056 -0.500 1.00 0.92 N ATOM 1875 CA ASN A 126 -2.274 -13.036 0.541 1.00 0.96 C ATOM 1876 C ASN A 126 -1.978 -12.424 1.896 1.00 0.95 C ATOM 1877 O ASN A 126 -2.762 -12.550 2.832 1.00 0.98 O ATOM 1878 CB ASN A 126 -1.453 -14.317 0.357 1.00 0.95 C ATOM 1879 CG ASN A 126 -2.213 -15.534 0.885 1.00 1.05 C ATOM 1880 OD1 ASN A 126 -3.442 -15.553 0.965 1.00 1.56 O ATOM 1881 ND2 ASN A 126 -1.493 -16.586 1.252 1.00 1.66 N ATOM 0 H ASN A 126 -1.265 -12.297 -1.155 1.00 0.92 H new ATOM 0 HA ASN A 126 -3.326 -13.315 0.474 1.00 0.96 H new ATOM 0 HB2 ASN A 126 -1.223 -14.457 -0.699 1.00 0.95 H new ATOM 0 HB3 ASN A 126 -0.502 -14.222 0.881 1.00 0.95 H new ATOM 0 HD21 ASN A 126 -1.957 -17.423 1.605 1.00 1.66 H new ATOM 0 HD22 ASN A 126 -0.476 -16.558 1.181 1.00 1.66 H new ATOM 1888 N HIS A 127 -0.838 -11.748 2.000 1.00 0.91 N ATOM 1889 CA HIS A 127 -0.406 -11.201 3.276 1.00 0.88 C ATOM 1890 C HIS A 127 -1.266 -9.998 3.629 1.00 0.85 C ATOM 1891 O HIS A 127 -1.512 -9.731 4.801 1.00 0.86 O ATOM 1892 CB HIS A 127 1.077 -10.834 3.225 1.00 0.86 C ATOM 1893 CG HIS A 127 1.950 -12.030 2.958 1.00 0.96 C ATOM 1894 ND1 HIS A 127 2.116 -13.122 3.780 1.00 1.18 N ATOM 1895 CD2 HIS A 127 2.690 -12.237 1.829 1.00 0.94 C ATOM 1896 CE1 HIS A 127 2.944 -13.973 3.146 1.00 1.27 C ATOM 1897 NE2 HIS A 127 3.311 -13.481 1.953 1.00 1.11 N ATOM 0 H HIS A 127 -0.203 -11.568 1.222 1.00 0.91 H new ATOM 0 HA HIS A 127 -0.529 -11.953 4.055 1.00 0.88 H new ATOM 0 HB2 HIS A 127 1.238 -10.088 2.447 1.00 0.86 H new ATOM 0 HB3 HIS A 127 1.369 -10.377 4.170 1.00 0.86 H new ATOM 0 HD2 HIS A 127 2.779 -11.561 0.992 1.00 0.94 H new ATOM 0 HE1 HIS A 127 3.269 -14.923 3.544 1.00 1.27 H new ATOM 0 HE2 HIS A 127 3.923 -13.928 1.271 1.00 1.11 H new ATOM 1905 N LEU A 128 -1.742 -9.278 2.616 1.00 0.85 N ATOM 1906 CA LEU A 128 -2.522 -8.070 2.769 1.00 0.89 C ATOM 1907 C LEU A 128 -3.883 -8.443 3.314 1.00 0.95 C ATOM 1908 O LEU A 128 -4.344 -7.862 4.286 1.00 0.93 O ATOM 1909 CB LEU A 128 -2.574 -7.384 1.396 1.00 0.90 C ATOM 1910 CG LEU A 128 -3.529 -6.195 1.242 1.00 1.07 C ATOM 1911 CD1 LEU A 128 -3.076 -5.388 0.022 1.00 2.65 C ATOM 1912 CD2 LEU A 128 -4.976 -6.643 0.994 1.00 1.42 C ATOM 0 H LEU A 128 -1.587 -9.533 1.641 1.00 0.85 H new ATOM 0 HA LEU A 128 -2.085 -7.366 3.478 1.00 0.89 H new ATOM 0 HB2 LEU A 128 -1.568 -7.043 1.150 1.00 0.90 H new ATOM 0 HB3 LEU A 128 -2.846 -8.134 0.654 1.00 0.90 H new ATOM 0 HG LEU A 128 -3.503 -5.614 2.164 1.00 1.07 H new ATOM 0 HD11 LEU A 128 -3.738 -4.533 -0.115 1.00 2.65 H new ATOM 0 HD12 LEU A 128 -2.056 -5.037 0.177 1.00 2.65 H new ATOM 0 HD13 LEU A 128 -3.112 -6.020 -0.866 1.00 2.65 H new ATOM 0 HD21 LEU A 128 -5.616 -5.766 0.891 1.00 1.42 H new ATOM 0 HD22 LEU A 128 -5.022 -7.235 0.080 1.00 1.42 H new ATOM 0 HD23 LEU A 128 -5.319 -7.246 1.834 1.00 1.42 H new ATOM 1924 N LEU A 129 -4.513 -9.443 2.708 1.00 1.03 N ATOM 1925 CA LEU A 129 -5.790 -9.963 3.146 1.00 1.15 C ATOM 1926 C LEU A 129 -5.634 -10.658 4.477 1.00 1.14 C ATOM 1927 O LEU A 129 -6.587 -10.658 5.233 1.00 1.20 O ATOM 1928 CB LEU A 129 -6.382 -10.936 2.116 1.00 1.27 C ATOM 1929 CG LEU A 129 -6.878 -10.261 0.829 1.00 2.55 C ATOM 1930 CD1 LEU A 129 -7.579 -11.309 -0.040 1.00 3.57 C ATOM 1931 CD2 LEU A 129 -7.870 -9.141 1.144 1.00 3.10 C ATOM 0 H LEU A 129 -4.140 -9.918 1.886 1.00 1.03 H new ATOM 0 HA LEU A 129 -6.477 -9.123 3.251 1.00 1.15 H new ATOM 0 HB2 LEU A 129 -5.627 -11.678 1.857 1.00 1.27 H new ATOM 0 HB3 LEU A 129 -7.212 -11.473 2.575 1.00 1.27 H new ATOM 0 HG LEU A 129 -6.021 -9.833 0.308 1.00 2.55 H new ATOM 0 HD11 LEU A 129 -7.936 -10.841 -0.958 1.00 3.57 H new ATOM 0 HD12 LEU A 129 -6.877 -12.105 -0.288 1.00 3.57 H new ATOM 0 HD13 LEU A 129 -8.424 -11.728 0.506 1.00 3.57 H new ATOM 0 HD21 LEU A 129 -8.205 -8.680 0.215 1.00 3.10 H new ATOM 0 HD22 LEU A 129 -8.728 -9.554 1.675 1.00 3.10 H new ATOM 0 HD23 LEU A 129 -7.385 -8.390 1.767 1.00 3.10 H new ATOM 1943 N THR A 130 -4.472 -11.226 4.799 1.00 1.09 N ATOM 1944 CA THR A 130 -4.301 -11.818 6.120 1.00 1.12 C ATOM 1945 C THR A 130 -4.302 -10.706 7.158 1.00 1.08 C ATOM 1946 O THR A 130 -4.989 -10.788 8.171 1.00 1.15 O ATOM 1947 CB THR A 130 -3.025 -12.665 6.173 1.00 1.12 C ATOM 1948 OG1 THR A 130 -3.201 -13.789 5.339 1.00 1.18 O ATOM 1949 CG2 THR A 130 -2.710 -13.176 7.580 1.00 1.17 C ATOM 0 H THR A 130 -3.661 -11.287 4.184 1.00 1.09 H new ATOM 0 HA THR A 130 -5.128 -12.494 6.339 1.00 1.12 H new ATOM 0 HB THR A 130 -2.200 -12.030 5.850 1.00 1.12 H new ATOM 0 HG1 THR A 130 -3.080 -13.524 4.403 1.00 1.18 H new ATOM 0 HG21 THR A 130 -1.796 -13.769 7.555 1.00 1.17 H new ATOM 0 HG22 THR A 130 -2.575 -12.329 8.253 1.00 1.17 H new ATOM 0 HG23 THR A 130 -3.534 -13.794 7.936 1.00 1.17 H new ATOM 1957 N ALA A 131 -3.552 -9.639 6.898 1.00 0.98 N ATOM 1958 CA ALA A 131 -3.448 -8.543 7.838 1.00 0.96 C ATOM 1959 C ALA A 131 -4.798 -7.844 7.978 1.00 0.99 C ATOM 1960 O ALA A 131 -5.182 -7.448 9.072 1.00 1.02 O ATOM 1961 CB ALA A 131 -2.337 -7.600 7.371 1.00 0.95 C ATOM 0 H ALA A 131 -3.010 -9.516 6.043 1.00 0.98 H new ATOM 0 HA ALA A 131 -3.183 -8.908 8.831 1.00 0.96 H new ATOM 0 HB1 ALA A 131 -2.247 -6.769 8.070 1.00 0.95 H new ATOM 0 HB2 ALA A 131 -1.393 -8.143 7.329 1.00 0.95 H new ATOM 0 HB3 ALA A 131 -2.579 -7.216 6.380 1.00 0.95 H new ATOM 1967 N LEU A 132 -5.542 -7.718 6.882 1.00 1.00 N ATOM 1968 CA LEU A 132 -6.858 -7.096 6.884 1.00 1.03 C ATOM 1969 C LEU A 132 -7.934 -8.081 7.331 1.00 1.05 C ATOM 1970 O LEU A 132 -9.036 -7.658 7.668 1.00 1.06 O ATOM 1971 CB LEU A 132 -7.146 -6.482 5.506 1.00 1.07 C ATOM 1972 CG LEU A 132 -6.478 -5.098 5.432 1.00 1.63 C ATOM 1973 CD1 LEU A 132 -5.921 -4.784 4.045 1.00 2.13 C ATOM 1974 CD2 LEU A 132 -7.491 -4.022 5.828 1.00 2.13 C ATOM 0 H LEU A 132 -5.245 -8.047 5.964 1.00 1.00 H new ATOM 0 HA LEU A 132 -6.872 -6.286 7.613 1.00 1.03 H new ATOM 0 HB2 LEU A 132 -6.763 -7.129 4.717 1.00 1.07 H new ATOM 0 HB3 LEU A 132 -8.221 -6.391 5.350 1.00 1.07 H new ATOM 0 HG LEU A 132 -5.636 -5.109 6.124 1.00 1.63 H new ATOM 0 HD11 LEU A 132 -5.462 -3.795 4.053 1.00 2.13 H new ATOM 0 HD12 LEU A 132 -5.173 -5.530 3.776 1.00 2.13 H new ATOM 0 HD13 LEU A 132 -6.730 -4.802 3.315 1.00 2.13 H new ATOM 0 HD21 LEU A 132 -7.019 -3.041 5.776 1.00 2.13 H new ATOM 0 HD22 LEU A 132 -8.340 -4.053 5.145 1.00 2.13 H new ATOM 0 HD23 LEU A 132 -7.837 -4.205 6.845 1.00 2.13 H new ATOM 1986 N ASP A 133 -7.630 -9.376 7.430 1.00 1.04 N ATOM 1987 CA ASP A 133 -8.527 -10.324 8.088 1.00 1.00 C ATOM 1988 C ASP A 133 -8.626 -10.010 9.582 1.00 0.97 C ATOM 1989 O ASP A 133 -9.544 -10.467 10.250 1.00 0.83 O ATOM 1990 CB ASP A 133 -8.101 -11.783 7.873 1.00 1.06 C ATOM 1991 CG ASP A 133 -9.307 -12.719 7.879 1.00 1.31 C ATOM 1992 OD1 ASP A 133 -9.244 -13.740 8.596 1.00 2.00 O ATOM 1993 OD2 ASP A 133 -10.248 -12.436 7.097 1.00 2.68 O ATOM 0 H ASP A 133 -6.773 -9.790 7.064 1.00 1.04 H new ATOM 0 HA ASP A 133 -9.509 -10.209 7.629 1.00 1.00 H new ATOM 0 HB2 ASP A 133 -7.572 -11.874 6.924 1.00 1.06 H new ATOM 0 HB3 ASP A 133 -7.404 -12.080 8.656 1.00 1.06 H new ATOM 1998 N THR A 134 -7.721 -9.177 10.114 1.00 1.19 N ATOM 1999 CA THR A 134 -7.803 -8.677 11.481 1.00 1.24 C ATOM 2000 C THR A 134 -8.982 -7.717 11.708 1.00 1.16 C ATOM 2001 O THR A 134 -9.175 -7.267 12.842 1.00 1.23 O ATOM 2002 CB THR A 134 -6.457 -8.065 11.877 1.00 1.54 C ATOM 2003 OG1 THR A 134 -6.244 -8.243 13.261 1.00 1.98 O ATOM 2004 CG2 THR A 134 -6.408 -6.577 11.575 1.00 2.13 C ATOM 0 H THR A 134 -6.910 -8.833 9.600 1.00 1.19 H new ATOM 0 HA THR A 134 -8.012 -9.521 12.139 1.00 1.24 H new ATOM 0 HB THR A 134 -5.684 -8.569 11.296 1.00 1.54 H new ATOM 0 HG1 THR A 134 -5.381 -7.852 13.512 1.00 1.98 H new ATOM 0 HG21 THR A 134 -5.438 -6.178 11.870 1.00 2.13 H new ATOM 0 HG22 THR A 134 -6.557 -6.417 10.507 1.00 2.13 H new ATOM 0 HG23 THR A 134 -7.194 -6.067 12.131 1.00 2.13 H new ATOM 2012 N THR A 135 -9.728 -7.363 10.656 1.00 1.09 N ATOM 2013 CA THR A 135 -10.948 -6.574 10.776 1.00 1.13 C ATOM 2014 C THR A 135 -12.154 -7.522 10.821 1.00 1.02 C ATOM 2015 O THR A 135 -12.027 -8.695 11.155 1.00 2.07 O ATOM 2016 CB THR A 135 -11.051 -5.555 9.623 1.00 1.81 C ATOM 2017 OG1 THR A 135 -11.300 -6.202 8.389 1.00 2.25 O ATOM 2018 CG2 THR A 135 -9.796 -4.683 9.490 1.00 2.42 C ATOM 0 H THR A 135 -9.497 -7.619 9.696 1.00 1.09 H new ATOM 0 HA THR A 135 -10.930 -5.998 11.701 1.00 1.13 H new ATOM 0 HB THR A 135 -11.890 -4.905 9.872 1.00 1.81 H new ATOM 0 HG1 THR A 135 -10.515 -6.730 8.132 1.00 2.25 H new ATOM 0 HG21 THR A 135 -9.924 -3.985 8.663 1.00 2.42 H new ATOM 0 HG22 THR A 135 -9.640 -4.126 10.414 1.00 2.42 H new ATOM 0 HG23 THR A 135 -8.931 -5.318 9.298 1.00 2.42 H new ATOM 2026 N ASP A 136 -13.339 -7.027 10.471 1.00 1.20 N ATOM 2027 CA ASP A 136 -14.604 -7.745 10.551 1.00 1.23 C ATOM 2028 C ASP A 136 -15.553 -7.362 9.410 1.00 1.90 C ATOM 2029 O ASP A 136 -16.608 -7.976 9.282 1.00 2.69 O ATOM 2030 CB ASP A 136 -15.272 -7.464 11.903 1.00 1.43 C ATOM 2031 CG ASP A 136 -15.712 -6.004 12.048 1.00 2.52 C ATOM 2032 OD1 ASP A 136 -15.136 -5.153 11.328 1.00 3.37 O ATOM 2033 OD2 ASP A 136 -16.599 -5.757 12.893 1.00 3.50 O ATOM 0 H ASP A 136 -13.446 -6.079 10.111 1.00 1.20 H new ATOM 0 HA ASP A 136 -14.390 -8.810 10.457 1.00 1.23 H new ATOM 0 HB2 ASP A 136 -16.139 -8.114 12.018 1.00 1.43 H new ATOM 0 HB3 ASP A 136 -14.578 -7.712 12.706 1.00 1.43 H new ATOM 2038 N ALA A 137 -15.181 -6.420 8.530 1.00 2.06 N ATOM 2039 CA ALA A 137 -16.075 -5.867 7.529 1.00 2.86 C ATOM 2040 C ALA A 137 -15.541 -6.199 6.135 1.00 2.21 C ATOM 2041 O ALA A 137 -15.428 -7.378 5.784 1.00 2.22 O ATOM 2042 CB ALA A 137 -16.230 -4.367 7.807 1.00 3.80 C ATOM 0 H ALA A 137 -14.241 -6.024 8.502 1.00 2.06 H new ATOM 0 HA ALA A 137 -17.072 -6.306 7.576 1.00 2.86 H new ATOM 0 HB1 ALA A 137 -16.898 -3.927 7.067 1.00 3.80 H new ATOM 0 HB2 ALA A 137 -16.647 -4.223 8.804 1.00 3.80 H new ATOM 0 HB3 ALA A 137 -15.255 -3.883 7.748 1.00 3.80 H new ATOM 2048 N ASP A 138 -15.184 -5.206 5.328 1.00 2.26 N ATOM 2049 CA ASP A 138 -15.095 -5.367 3.886 1.00 2.08 C ATOM 2050 C ASP A 138 -13.886 -4.611 3.359 1.00 2.15 C ATOM 2051 O ASP A 138 -13.673 -3.445 3.661 1.00 2.76 O ATOM 2052 CB ASP A 138 -16.396 -4.911 3.212 1.00 2.35 C ATOM 2053 CG ASP A 138 -16.634 -3.404 3.314 1.00 2.69 C ATOM 2054 OD1 ASP A 138 -16.600 -2.752 2.248 1.00 3.23 O ATOM 2055 OD2 ASP A 138 -16.879 -2.939 4.451 1.00 4.10 O ATOM 0 H ASP A 138 -14.949 -4.269 5.657 1.00 2.26 H new ATOM 0 HA ASP A 138 -14.962 -6.422 3.646 1.00 2.08 H new ATOM 0 HB2 ASP A 138 -16.372 -5.198 2.161 1.00 2.35 H new ATOM 0 HB3 ASP A 138 -17.236 -5.436 3.667 1.00 2.35 H new ATOM 2060 N VAL A 139 -13.044 -5.299 2.599 1.00 1.66 N ATOM 2061 CA VAL A 139 -11.737 -4.791 2.219 1.00 1.62 C ATOM 2062 C VAL A 139 -11.733 -4.514 0.721 1.00 1.30 C ATOM 2063 O VAL A 139 -12.156 -5.370 -0.056 1.00 1.20 O ATOM 2064 CB VAL A 139 -10.667 -5.789 2.690 1.00 1.67 C ATOM 2065 CG1 VAL A 139 -10.817 -7.203 2.128 1.00 1.84 C ATOM 2066 CG2 VAL A 139 -9.258 -5.298 2.369 1.00 1.75 C ATOM 0 H VAL A 139 -13.251 -6.227 2.229 1.00 1.66 H new ATOM 0 HA VAL A 139 -11.504 -3.842 2.701 1.00 1.62 H new ATOM 0 HB VAL A 139 -10.824 -5.845 3.767 1.00 1.67 H new ATOM 0 HG11 VAL A 139 -10.018 -7.835 2.516 1.00 1.84 H new ATOM 0 HG12 VAL A 139 -11.782 -7.613 2.427 1.00 1.84 H new ATOM 0 HG13 VAL A 139 -10.758 -7.170 1.040 1.00 1.84 H new ATOM 0 HG21 VAL A 139 -8.529 -6.030 2.717 1.00 1.75 H new ATOM 0 HG22 VAL A 139 -9.155 -5.167 1.292 1.00 1.75 H new ATOM 0 HG23 VAL A 139 -9.082 -4.345 2.869 1.00 1.75 H new ATOM 2076 N ALA A 140 -11.265 -3.328 0.315 1.00 1.22 N ATOM 2077 CA ALA A 140 -11.271 -2.919 -1.080 1.00 0.99 C ATOM 2078 C ALA A 140 -9.834 -2.735 -1.563 1.00 1.01 C ATOM 2079 O ALA A 140 -9.059 -1.967 -1.001 1.00 1.20 O ATOM 2080 CB ALA A 140 -12.096 -1.639 -1.246 1.00 0.96 C ATOM 0 H ALA A 140 -10.874 -2.631 0.949 1.00 1.22 H new ATOM 0 HA ALA A 140 -11.736 -3.691 -1.692 1.00 0.99 H new ATOM 0 HB1 ALA A 140 -12.096 -1.339 -2.294 1.00 0.96 H new ATOM 0 HB2 ALA A 140 -13.120 -1.822 -0.921 1.00 0.96 H new ATOM 0 HB3 ALA A 140 -11.660 -0.844 -0.641 1.00 0.96 H new ATOM 2086 N ILE A 141 -9.461 -3.441 -2.625 1.00 0.93 N ATOM 2087 CA ILE A 141 -8.166 -3.252 -3.259 1.00 0.97 C ATOM 2088 C ILE A 141 -8.389 -2.347 -4.463 1.00 1.03 C ATOM 2089 O ILE A 141 -9.481 -2.339 -5.025 1.00 1.22 O ATOM 2090 CB ILE A 141 -7.578 -4.626 -3.600 1.00 0.93 C ATOM 2091 CG1 ILE A 141 -7.208 -5.350 -2.292 1.00 1.26 C ATOM 2092 CG2 ILE A 141 -6.344 -4.548 -4.509 1.00 1.13 C ATOM 2093 CD1 ILE A 141 -7.648 -6.812 -2.328 1.00 1.10 C ATOM 0 H ILE A 141 -10.043 -4.153 -3.065 1.00 0.93 H new ATOM 0 HA ILE A 141 -7.434 -2.768 -2.612 1.00 0.97 H new ATOM 0 HB ILE A 141 -8.340 -5.176 -4.153 1.00 0.93 H new ATOM 0 HG12 ILE A 141 -6.131 -5.295 -2.135 1.00 1.26 H new ATOM 0 HG13 ILE A 141 -7.679 -4.846 -1.448 1.00 1.26 H new ATOM 0 HG21 ILE A 141 -5.977 -5.554 -4.712 1.00 1.13 H new ATOM 0 HG22 ILE A 141 -6.614 -4.064 -5.448 1.00 1.13 H new ATOM 0 HG23 ILE A 141 -5.563 -3.970 -4.014 1.00 1.13 H new ATOM 0 HD11 ILE A 141 -7.374 -7.298 -1.392 1.00 1.10 H new ATOM 0 HD12 ILE A 141 -8.729 -6.864 -2.460 1.00 1.10 H new ATOM 0 HD13 ILE A 141 -7.156 -7.320 -3.158 1.00 1.10 H new ATOM 2105 N TYR A 142 -7.379 -1.567 -4.845 1.00 0.97 N ATOM 2106 CA TYR A 142 -7.508 -0.537 -5.865 1.00 1.15 C ATOM 2107 C TYR A 142 -6.284 -0.572 -6.781 1.00 1.10 C ATOM 2108 O TYR A 142 -5.253 0.023 -6.467 1.00 1.20 O ATOM 2109 CB TYR A 142 -7.709 0.825 -5.175 1.00 1.38 C ATOM 2110 CG TYR A 142 -8.794 1.668 -5.808 1.00 1.79 C ATOM 2111 CD1 TYR A 142 -10.062 1.740 -5.201 1.00 2.97 C ATOM 2112 CD2 TYR A 142 -8.534 2.389 -6.989 1.00 2.64 C ATOM 2113 CE1 TYR A 142 -11.073 2.536 -5.766 1.00 4.46 C ATOM 2114 CE2 TYR A 142 -9.547 3.179 -7.562 1.00 4.26 C ATOM 2115 CZ TYR A 142 -10.817 3.259 -6.950 1.00 5.04 C ATOM 2116 OH TYR A 142 -11.774 4.057 -7.494 1.00 6.72 O ATOM 0 H TYR A 142 -6.441 -1.636 -4.449 1.00 0.97 H new ATOM 0 HA TYR A 142 -8.379 -0.714 -6.496 1.00 1.15 H new ATOM 0 HB2 TYR A 142 -7.954 0.659 -4.126 1.00 1.38 H new ATOM 0 HB3 TYR A 142 -6.770 1.378 -5.199 1.00 1.38 H new ATOM 0 HD1 TYR A 142 -10.259 1.181 -4.298 1.00 2.97 H new ATOM 0 HD2 TYR A 142 -7.560 2.336 -7.453 1.00 2.64 H new ATOM 0 HE1 TYR A 142 -12.043 2.594 -5.295 1.00 4.46 H new ATOM 0 HE2 TYR A 142 -9.353 3.726 -8.473 1.00 4.26 H new ATOM 0 HH TYR A 142 -11.609 4.988 -7.236 1.00 6.72 H new ATOM 2126 N CYS A 143 -6.368 -1.288 -7.907 1.00 1.14 N ATOM 2127 CA CYS A 143 -5.260 -1.430 -8.842 1.00 1.17 C ATOM 2128 C CYS A 143 -5.793 -1.602 -10.261 1.00 1.27 C ATOM 2129 O CYS A 143 -6.373 -2.636 -10.593 1.00 1.44 O ATOM 2130 CB CYS A 143 -4.401 -2.662 -8.514 1.00 1.37 C ATOM 2131 SG CYS A 143 -3.627 -2.551 -6.878 1.00 2.77 S ATOM 0 H CYS A 143 -7.212 -1.785 -8.192 1.00 1.14 H new ATOM 0 HA CYS A 143 -4.652 -0.529 -8.759 1.00 1.17 H new ATOM 0 HB2 CYS A 143 -5.022 -3.557 -8.559 1.00 1.37 H new ATOM 0 HB3 CYS A 143 -3.626 -2.773 -9.272 1.00 1.37 H new ATOM 0 HG CYS A 143 -3.911 -1.402 -6.341 1.00 2.77 H new ATOM 2137 N ARG A 144 -5.564 -0.616 -11.126 1.00 1.43 N ATOM 2138 CA ARG A 144 -5.631 -0.833 -12.565 1.00 1.45 C ATOM 2139 C ARG A 144 -4.634 -1.926 -12.955 1.00 1.59 C ATOM 2140 O ARG A 144 -3.525 -1.930 -12.435 1.00 2.18 O ATOM 2141 CB ARG A 144 -5.323 0.476 -13.309 1.00 1.54 C ATOM 2142 CG ARG A 144 -3.925 1.042 -12.989 1.00 1.94 C ATOM 2143 CD ARG A 144 -3.732 2.465 -13.519 1.00 2.29 C ATOM 2144 NE ARG A 144 -3.733 2.507 -14.990 1.00 2.58 N ATOM 2145 CZ ARG A 144 -4.773 2.805 -15.779 1.00 3.20 C ATOM 2146 NH1 ARG A 144 -4.619 2.810 -17.104 1.00 3.97 N ATOM 2147 NH2 ARG A 144 -5.964 3.092 -15.251 1.00 4.28 N ATOM 0 H ARG A 144 -5.331 0.339 -10.854 1.00 1.43 H new ATOM 0 HA ARG A 144 -6.635 -1.153 -12.843 1.00 1.45 H new ATOM 0 HB2 ARG A 144 -5.401 0.303 -14.382 1.00 1.54 H new ATOM 0 HB3 ARG A 144 -6.077 1.220 -13.050 1.00 1.54 H new ATOM 0 HG2 ARG A 144 -3.773 1.036 -11.910 1.00 1.94 H new ATOM 0 HG3 ARG A 144 -3.165 0.391 -13.421 1.00 1.94 H new ATOM 0 HD2 ARG A 144 -4.527 3.106 -13.137 1.00 2.29 H new ATOM 0 HD3 ARG A 144 -2.791 2.867 -13.145 1.00 2.29 H new ATOM 0 HE ARG A 144 -2.853 2.287 -15.456 1.00 2.58 H new ATOM 0 HH11 ARG A 144 -3.711 2.587 -17.513 1.00 3.97 H new ATOM 0 HH12 ARG A 144 -5.409 3.036 -17.708 1.00 3.97 H new ATOM 0 HH21 ARG A 144 -6.088 3.086 -14.239 1.00 4.28 H new ATOM 0 HH22 ARG A 144 -6.751 3.318 -15.860 1.00 4.28 H new ATOM 2161 N ASP A 145 -5.041 -2.798 -13.883 1.00 1.20 N ATOM 2162 CA ASP A 145 -4.235 -3.787 -14.615 1.00 1.27 C ATOM 2163 C ASP A 145 -5.172 -4.725 -15.375 1.00 1.25 C ATOM 2164 O ASP A 145 -4.853 -5.212 -16.452 1.00 1.53 O ATOM 2165 CB ASP A 145 -3.338 -4.663 -13.735 1.00 1.31 C ATOM 2166 CG ASP A 145 -2.368 -5.429 -14.634 1.00 1.47 C ATOM 2167 OD1 ASP A 145 -2.598 -6.642 -14.833 1.00 2.11 O ATOM 2168 OD2 ASP A 145 -1.405 -4.789 -15.105 1.00 2.39 O ATOM 0 H ASP A 145 -6.020 -2.835 -14.166 1.00 1.20 H new ATOM 0 HA ASP A 145 -3.583 -3.205 -15.266 1.00 1.27 H new ATOM 0 HB2 ASP A 145 -2.788 -4.046 -13.024 1.00 1.31 H new ATOM 0 HB3 ASP A 145 -3.943 -5.358 -13.153 1.00 1.31 H new ATOM 2173 N LYS A 146 -6.341 -5.005 -14.782 1.00 1.12 N ATOM 2174 CA LYS A 146 -7.392 -5.884 -15.291 1.00 1.10 C ATOM 2175 C LYS A 146 -7.086 -7.318 -14.906 1.00 1.20 C ATOM 2176 O LYS A 146 -7.871 -7.927 -14.183 1.00 1.20 O ATOM 2177 CB LYS A 146 -7.614 -5.711 -16.806 1.00 1.35 C ATOM 2178 CG LYS A 146 -8.990 -6.203 -17.274 1.00 1.41 C ATOM 2179 CD LYS A 146 -10.110 -5.230 -16.880 1.00 1.83 C ATOM 2180 CE LYS A 146 -11.076 -5.866 -15.883 1.00 2.88 C ATOM 2181 NZ LYS A 146 -11.996 -6.860 -16.468 1.00 3.80 N ATOM 0 H LYS A 146 -6.589 -4.597 -13.880 1.00 1.12 H new ATOM 0 HA LYS A 146 -8.337 -5.601 -14.827 1.00 1.10 H new ATOM 0 HB2 LYS A 146 -7.504 -4.658 -17.065 1.00 1.35 H new ATOM 0 HB3 LYS A 146 -6.838 -6.255 -17.345 1.00 1.35 H new ATOM 0 HG2 LYS A 146 -8.982 -6.328 -18.357 1.00 1.41 H new ATOM 0 HG3 LYS A 146 -9.192 -7.183 -16.841 1.00 1.41 H new ATOM 0 HD2 LYS A 146 -9.676 -4.330 -16.445 1.00 1.83 H new ATOM 0 HD3 LYS A 146 -10.656 -4.921 -17.771 1.00 1.83 H new ATOM 0 HE2 LYS A 146 -10.498 -6.346 -15.093 1.00 2.88 H new ATOM 0 HE3 LYS A 146 -11.664 -5.078 -15.414 1.00 2.88 H new ATOM 0 HZ1 LYS A 146 -12.659 -7.191 -15.738 1.00 3.80 H new ATOM 0 HZ2 LYS A 146 -12.528 -6.424 -17.248 1.00 3.80 H new ATOM 0 HZ3 LYS A 146 -11.450 -7.667 -16.831 1.00 3.80 H new ATOM 2195 N LYS A 147 -5.927 -7.851 -15.293 1.00 1.32 N ATOM 2196 CA LYS A 147 -5.569 -9.201 -14.870 1.00 1.40 C ATOM 2197 C LYS A 147 -5.547 -9.329 -13.351 1.00 1.33 C ATOM 2198 O LYS A 147 -5.744 -10.423 -12.824 1.00 1.38 O ATOM 2199 CB LYS A 147 -4.212 -9.613 -15.445 1.00 1.53 C ATOM 2200 CG LYS A 147 -4.257 -9.703 -16.976 1.00 1.47 C ATOM 2201 CD LYS A 147 -2.974 -10.327 -17.536 1.00 2.18 C ATOM 2202 CE LYS A 147 -2.922 -11.826 -17.215 1.00 3.52 C ATOM 2203 NZ LYS A 147 -1.692 -12.461 -17.733 1.00 4.35 N ATOM 0 H LYS A 147 -5.238 -7.383 -15.882 1.00 1.32 H new ATOM 0 HA LYS A 147 -6.337 -9.871 -15.257 1.00 1.40 H new ATOM 0 HB2 LYS A 147 -3.453 -8.891 -15.144 1.00 1.53 H new ATOM 0 HB3 LYS A 147 -3.917 -10.577 -15.031 1.00 1.53 H new ATOM 0 HG2 LYS A 147 -5.117 -10.299 -17.282 1.00 1.47 H new ATOM 0 HG3 LYS A 147 -4.393 -8.707 -17.397 1.00 1.47 H new ATOM 0 HD2 LYS A 147 -2.931 -10.178 -18.615 1.00 2.18 H new ATOM 0 HD3 LYS A 147 -2.104 -9.827 -17.110 1.00 2.18 H new ATOM 0 HE2 LYS A 147 -2.976 -11.968 -16.136 1.00 3.52 H new ATOM 0 HE3 LYS A 147 -3.794 -12.319 -17.645 1.00 3.52 H new ATOM 0 HZ1 LYS A 147 -1.697 -13.473 -17.495 1.00 4.35 H new ATOM 0 HZ2 LYS A 147 -1.652 -12.349 -18.766 1.00 4.35 H new ATOM 0 HZ3 LYS A 147 -0.860 -12.008 -17.303 1.00 4.35 H new ATOM 2217 N TRP A 148 -5.305 -8.234 -12.631 1.00 1.24 N ATOM 2218 CA TRP A 148 -5.175 -8.316 -11.183 1.00 1.22 C ATOM 2219 C TRP A 148 -6.550 -8.452 -10.580 1.00 1.17 C ATOM 2220 O TRP A 148 -6.716 -9.166 -9.599 1.00 1.16 O ATOM 2221 CB TRP A 148 -4.464 -7.085 -10.598 1.00 1.20 C ATOM 2222 CG TRP A 148 -3.031 -6.879 -10.983 1.00 1.89 C ATOM 2223 CD1 TRP A 148 -2.443 -7.402 -12.076 1.00 3.08 C ATOM 2224 CD2 TRP A 148 -2.008 -6.043 -10.351 1.00 2.44 C ATOM 2225 NE1 TRP A 148 -1.164 -6.913 -12.206 1.00 4.34 N ATOM 2226 CE2 TRP A 148 -0.833 -6.079 -11.163 1.00 4.02 C ATOM 2227 CE3 TRP A 148 -1.954 -5.237 -9.193 1.00 2.14 C ATOM 2228 CZ2 TRP A 148 0.325 -5.355 -10.849 1.00 5.03 C ATOM 2229 CZ3 TRP A 148 -0.795 -4.505 -8.869 1.00 3.10 C ATOM 2230 CH2 TRP A 148 0.343 -4.564 -9.691 1.00 4.50 C ATOM 0 H TRP A 148 -5.197 -7.298 -13.021 1.00 1.24 H new ATOM 0 HA TRP A 148 -4.564 -9.186 -10.941 1.00 1.22 H new ATOM 0 HB2 TRP A 148 -5.025 -6.198 -10.893 1.00 1.20 H new ATOM 0 HB3 TRP A 148 -4.517 -7.148 -9.511 1.00 1.20 H new ATOM 0 HD1 TRP A 148 -2.908 -8.104 -12.752 1.00 3.08 H new ATOM 0 HE1 TRP A 148 -0.539 -7.140 -12.979 1.00 4.34 H new ATOM 0 HE3 TRP A 148 -2.816 -5.181 -8.545 1.00 2.14 H new ATOM 0 HZ2 TRP A 148 1.192 -5.405 -11.490 1.00 5.03 H new ATOM 0 HZ3 TRP A 148 -0.781 -3.892 -7.980 1.00 3.10 H new ATOM 0 HH2 TRP A 148 1.228 -4.002 -9.432 1.00 4.50 H new ATOM 2241 N GLU A 149 -7.542 -7.793 -11.175 1.00 1.17 N ATOM 2242 CA GLU A 149 -8.889 -7.937 -10.655 1.00 1.17 C ATOM 2243 C GLU A 149 -9.363 -9.356 -10.928 1.00 1.19 C ATOM 2244 O GLU A 149 -10.007 -9.945 -10.075 1.00 1.22 O ATOM 2245 CB GLU A 149 -9.861 -6.851 -11.142 1.00 1.27 C ATOM 2246 CG GLU A 149 -10.424 -7.024 -12.566 1.00 2.02 C ATOM 2247 CD GLU A 149 -11.963 -7.023 -12.667 1.00 2.89 C ATOM 2248 OE1 GLU A 149 -12.650 -7.311 -11.662 1.00 4.09 O ATOM 2249 OE2 GLU A 149 -12.445 -6.723 -13.784 1.00 3.03 O ATOM 0 H GLU A 149 -7.442 -7.180 -11.984 1.00 1.17 H new ATOM 0 HA GLU A 149 -8.869 -7.777 -9.577 1.00 1.17 H new ATOM 0 HB2 GLU A 149 -10.699 -6.806 -10.446 1.00 1.27 H new ATOM 0 HB3 GLU A 149 -9.352 -5.889 -11.091 1.00 1.27 H new ATOM 0 HG2 GLU A 149 -10.034 -6.223 -13.194 1.00 2.02 H new ATOM 0 HG3 GLU A 149 -10.049 -7.962 -12.976 1.00 2.02 H new ATOM 2256 N MET A 150 -9.001 -9.936 -12.078 1.00 1.24 N ATOM 2257 CA MET A 150 -9.426 -11.280 -12.404 1.00 1.33 C ATOM 2258 C MET A 150 -8.867 -12.243 -11.371 1.00 1.31 C ATOM 2259 O MET A 150 -9.632 -12.941 -10.720 1.00 1.29 O ATOM 2260 CB MET A 150 -8.997 -11.652 -13.824 1.00 1.44 C ATOM 2261 CG MET A 150 -10.090 -11.259 -14.821 1.00 1.41 C ATOM 2262 SD MET A 150 -9.821 -11.860 -16.509 1.00 1.78 S ATOM 2263 CE MET A 150 -10.331 -13.593 -16.307 1.00 3.20 C ATOM 0 H MET A 150 -8.419 -9.490 -12.787 1.00 1.24 H new ATOM 0 HA MET A 150 -10.514 -11.340 -12.377 1.00 1.33 H new ATOM 0 HB2 MET A 150 -8.065 -11.146 -14.075 1.00 1.44 H new ATOM 0 HB3 MET A 150 -8.805 -12.723 -13.886 1.00 1.44 H new ATOM 0 HG2 MET A 150 -11.046 -11.640 -14.461 1.00 1.41 H new ATOM 0 HG3 MET A 150 -10.169 -10.172 -14.844 1.00 1.41 H new ATOM 0 HE1 MET A 150 -10.228 -14.116 -17.258 1.00 3.20 H new ATOM 0 HE2 MET A 150 -9.700 -14.073 -15.559 1.00 3.20 H new ATOM 0 HE3 MET A 150 -11.371 -13.631 -15.983 1.00 3.20 H new ATOM 2273 N THR A 151 -7.550 -12.250 -11.171 1.00 1.36 N ATOM 2274 CA THR A 151 -6.916 -13.169 -10.248 1.00 1.44 C ATOM 2275 C THR A 151 -7.446 -12.976 -8.838 1.00 1.33 C ATOM 2276 O THR A 151 -7.734 -13.943 -8.137 1.00 1.38 O ATOM 2277 CB THR A 151 -5.400 -12.949 -10.303 1.00 1.57 C ATOM 2278 OG1 THR A 151 -4.928 -12.952 -11.635 1.00 1.67 O ATOM 2279 CG2 THR A 151 -4.670 -14.057 -9.566 1.00 1.77 C ATOM 0 H THR A 151 -6.902 -11.620 -11.644 1.00 1.36 H new ATOM 0 HA THR A 151 -7.145 -14.195 -10.537 1.00 1.44 H new ATOM 0 HB THR A 151 -5.208 -11.982 -9.838 1.00 1.57 H new ATOM 0 HG1 THR A 151 -5.056 -12.064 -12.029 1.00 1.67 H new ATOM 0 HG21 THR A 151 -3.595 -13.882 -9.617 1.00 1.77 H new ATOM 0 HG22 THR A 151 -4.986 -14.070 -8.523 1.00 1.77 H new ATOM 0 HG23 THR A 151 -4.903 -15.016 -10.028 1.00 1.77 H new ATOM 2287 N LEU A 152 -7.604 -11.728 -8.412 1.00 1.23 N ATOM 2288 CA LEU A 152 -8.157 -11.465 -7.098 1.00 1.18 C ATOM 2289 C LEU A 152 -9.582 -11.965 -6.997 1.00 1.12 C ATOM 2290 O LEU A 152 -9.979 -12.415 -5.936 1.00 1.14 O ATOM 2291 CB LEU A 152 -8.134 -9.976 -6.777 1.00 1.18 C ATOM 2292 CG LEU A 152 -6.811 -9.601 -6.109 1.00 1.43 C ATOM 2293 CD1 LEU A 152 -6.408 -8.151 -6.370 1.00 1.87 C ATOM 2294 CD2 LEU A 152 -6.948 -9.829 -4.599 1.00 2.69 C ATOM 0 H LEU A 152 -7.360 -10.897 -8.951 1.00 1.23 H new ATOM 0 HA LEU A 152 -7.534 -11.997 -6.379 1.00 1.18 H new ATOM 0 HB2 LEU A 152 -8.265 -9.397 -7.691 1.00 1.18 H new ATOM 0 HB3 LEU A 152 -8.966 -9.725 -6.119 1.00 1.18 H new ATOM 0 HG LEU A 152 -6.029 -10.229 -6.536 1.00 1.43 H new ATOM 0 HD11 LEU A 152 -5.462 -7.941 -5.872 1.00 1.87 H new ATOM 0 HD12 LEU A 152 -6.297 -7.992 -7.443 1.00 1.87 H new ATOM 0 HD13 LEU A 152 -7.178 -7.484 -5.982 1.00 1.87 H new ATOM 0 HD21 LEU A 152 -6.012 -9.566 -4.105 1.00 2.69 H new ATOM 0 HD22 LEU A 152 -7.752 -9.205 -4.208 1.00 2.69 H new ATOM 0 HD23 LEU A 152 -7.177 -10.878 -4.409 1.00 2.69 H new ATOM 2306 N LYS A 153 -10.370 -11.871 -8.063 1.00 1.09 N ATOM 2307 CA LYS A 153 -11.755 -12.312 -8.027 1.00 1.07 C ATOM 2308 C LYS A 153 -11.792 -13.835 -8.022 1.00 1.15 C ATOM 2309 O LYS A 153 -12.686 -14.432 -7.434 1.00 1.17 O ATOM 2310 CB LYS A 153 -12.519 -11.694 -9.204 1.00 1.08 C ATOM 2311 CG LYS A 153 -12.741 -10.188 -8.950 1.00 1.23 C ATOM 2312 CD LYS A 153 -14.220 -9.869 -8.754 1.00 2.11 C ATOM 2313 CE LYS A 153 -14.863 -9.786 -10.140 1.00 2.49 C ATOM 2314 NZ LYS A 153 -16.330 -9.959 -10.081 1.00 3.38 N ATOM 0 H LYS A 153 -10.071 -11.493 -8.962 1.00 1.09 H new ATOM 0 HA LYS A 153 -12.251 -11.974 -7.117 1.00 1.07 H new ATOM 0 HB2 LYS A 153 -11.959 -11.838 -10.128 1.00 1.08 H new ATOM 0 HB3 LYS A 153 -13.478 -12.196 -9.331 1.00 1.08 H new ATOM 0 HG2 LYS A 153 -12.181 -9.880 -8.067 1.00 1.23 H new ATOM 0 HG3 LYS A 153 -12.352 -9.614 -9.791 1.00 1.23 H new ATOM 0 HD2 LYS A 153 -14.702 -10.641 -8.154 1.00 2.11 H new ATOM 0 HD3 LYS A 153 -14.341 -8.927 -8.219 1.00 2.11 H new ATOM 0 HE2 LYS A 153 -14.630 -8.821 -10.591 1.00 2.49 H new ATOM 0 HE3 LYS A 153 -14.433 -10.552 -10.786 1.00 2.49 H new ATOM 0 HZ1 LYS A 153 -16.726 -9.896 -11.041 1.00 3.38 H new ATOM 0 HZ2 LYS A 153 -16.554 -10.890 -9.675 1.00 3.38 H new ATOM 0 HZ3 LYS A 153 -16.744 -9.213 -9.486 1.00 3.38 H new ATOM 2328 N GLU A 154 -10.796 -14.467 -8.634 1.00 1.24 N ATOM 2329 CA GLU A 154 -10.649 -15.907 -8.724 1.00 1.36 C ATOM 2330 C GLU A 154 -10.327 -16.461 -7.336 1.00 1.39 C ATOM 2331 O GLU A 154 -10.877 -17.470 -6.903 1.00 1.45 O ATOM 2332 CB GLU A 154 -9.540 -16.204 -9.750 1.00 1.49 C ATOM 2333 CG GLU A 154 -10.088 -16.936 -10.977 1.00 1.49 C ATOM 2334 CD GLU A 154 -9.074 -16.891 -12.122 1.00 2.23 C ATOM 2335 OE1 GLU A 154 -7.997 -17.507 -11.953 1.00 3.17 O ATOM 2336 OE2 GLU A 154 -9.376 -16.223 -13.138 1.00 3.47 O ATOM 0 H GLU A 154 -10.040 -13.964 -9.099 1.00 1.24 H new ATOM 0 HA GLU A 154 -11.566 -16.391 -9.060 1.00 1.36 H new ATOM 0 HB2 GLU A 154 -9.073 -15.270 -10.062 1.00 1.49 H new ATOM 0 HB3 GLU A 154 -8.763 -16.809 -9.282 1.00 1.49 H new ATOM 0 HG2 GLU A 154 -10.311 -17.972 -10.721 1.00 1.49 H new ATOM 0 HG3 GLU A 154 -11.025 -16.477 -11.294 1.00 1.49 H new ATOM 2343 N ALA A 155 -9.444 -15.779 -6.610 1.00 1.40 N ATOM 2344 CA ALA A 155 -9.033 -16.167 -5.272 1.00 1.48 C ATOM 2345 C ALA A 155 -10.083 -15.791 -4.244 1.00 1.41 C ATOM 2346 O ALA A 155 -10.294 -16.542 -3.300 1.00 1.50 O ATOM 2347 CB ALA A 155 -7.691 -15.514 -4.935 1.00 1.56 C ATOM 0 H ALA A 155 -8.990 -14.929 -6.944 1.00 1.40 H new ATOM 0 HA ALA A 155 -8.920 -17.251 -5.245 1.00 1.48 H new ATOM 0 HB1 ALA A 155 -7.386 -15.807 -3.931 1.00 1.56 H new ATOM 0 HB2 ALA A 155 -6.938 -15.839 -5.653 1.00 1.56 H new ATOM 0 HB3 ALA A 155 -7.792 -14.430 -4.981 1.00 1.56 H new ATOM 2353 N VAL A 156 -10.764 -14.662 -4.416 1.00 1.27 N ATOM 2354 CA VAL A 156 -11.895 -14.308 -3.583 1.00 1.23 C ATOM 2355 C VAL A 156 -12.995 -15.346 -3.803 1.00 1.24 C ATOM 2356 O VAL A 156 -13.726 -15.658 -2.871 1.00 1.31 O ATOM 2357 CB VAL A 156 -12.328 -12.863 -3.889 1.00 1.15 C ATOM 2358 CG1 VAL A 156 -13.737 -12.540 -3.400 1.00 1.16 C ATOM 2359 CG2 VAL A 156 -11.363 -11.882 -3.208 1.00 1.22 C ATOM 0 H VAL A 156 -10.544 -13.973 -5.135 1.00 1.27 H new ATOM 0 HA VAL A 156 -11.641 -14.326 -2.523 1.00 1.23 H new ATOM 0 HB VAL A 156 -12.313 -12.764 -4.974 1.00 1.15 H new ATOM 0 HG11 VAL A 156 -13.980 -11.507 -3.647 1.00 1.16 H new ATOM 0 HG12 VAL A 156 -14.452 -13.206 -3.883 1.00 1.16 H new ATOM 0 HG13 VAL A 156 -13.787 -12.676 -2.320 1.00 1.16 H new ATOM 0 HG21 VAL A 156 -11.671 -10.859 -3.425 1.00 1.22 H new ATOM 0 HG22 VAL A 156 -11.379 -12.045 -2.130 1.00 1.22 H new ATOM 0 HG23 VAL A 156 -10.353 -12.045 -3.584 1.00 1.22 H new ATOM 2369 N ALA A 157 -13.094 -15.925 -5.003 1.00 1.23 N ATOM 2370 CA ALA A 157 -14.105 -16.938 -5.256 1.00 1.31 C ATOM 2371 C ALA A 157 -13.708 -18.237 -4.570 1.00 1.42 C ATOM 2372 O ALA A 157 -14.533 -18.851 -3.914 1.00 1.47 O ATOM 2373 CB ALA A 157 -14.315 -17.125 -6.761 1.00 1.40 C ATOM 0 H ALA A 157 -12.494 -15.710 -5.799 1.00 1.23 H new ATOM 0 HA ALA A 157 -15.059 -16.614 -4.839 1.00 1.31 H new ATOM 0 HB1 ALA A 157 -15.075 -17.887 -6.930 1.00 1.40 H new ATOM 0 HB2 ALA A 157 -14.641 -16.183 -7.203 1.00 1.40 H new ATOM 0 HB3 ALA A 157 -13.379 -17.438 -7.223 1.00 1.40 H new ATOM 2379 N ARG A 158 -12.447 -18.662 -4.682 1.00 1.54 N ATOM 2380 CA ARG A 158 -11.988 -19.839 -3.952 1.00 1.81 C ATOM 2381 C ARG A 158 -11.813 -19.583 -2.454 1.00 1.84 C ATOM 2382 O ARG A 158 -11.534 -20.518 -1.706 1.00 2.05 O ATOM 2383 CB ARG A 158 -10.713 -20.430 -4.570 1.00 2.01 C ATOM 2384 CG ARG A 158 -11.051 -21.412 -5.700 1.00 1.85 C ATOM 2385 CD ARG A 158 -9.926 -22.439 -5.866 1.00 2.27 C ATOM 2386 NE ARG A 158 -8.663 -21.812 -6.283 1.00 2.67 N ATOM 2387 CZ ARG A 158 -7.444 -22.338 -6.108 1.00 3.48 C ATOM 2388 NH1 ARG A 158 -6.369 -21.690 -6.561 1.00 4.95 N ATOM 2389 NH2 ARG A 158 -7.295 -23.510 -5.488 1.00 3.91 N ATOM 0 H ARG A 158 -11.738 -18.215 -5.263 1.00 1.54 H new ATOM 0 HA ARG A 158 -12.781 -20.580 -4.048 1.00 1.81 H new ATOM 0 HB2 ARG A 158 -10.087 -19.626 -4.957 1.00 2.01 H new ATOM 0 HB3 ARG A 158 -10.135 -20.941 -3.800 1.00 2.01 H new ATOM 0 HG2 ARG A 158 -11.989 -21.922 -5.479 1.00 1.85 H new ATOM 0 HG3 ARG A 158 -11.196 -20.867 -6.633 1.00 1.85 H new ATOM 0 HD2 ARG A 158 -9.775 -22.966 -4.924 1.00 2.27 H new ATOM 0 HD3 ARG A 158 -10.222 -23.184 -6.605 1.00 2.27 H new ATOM 0 HE ARG A 158 -8.720 -20.903 -6.743 1.00 2.67 H new ATOM 0 HH11 ARG A 158 -6.477 -20.796 -7.040 1.00 4.95 H new ATOM 0 HH12 ARG A 158 -5.440 -22.089 -6.429 1.00 4.95 H new ATOM 0 HH21 ARG A 158 -8.113 -24.012 -5.143 1.00 3.91 H new ATOM 0 HH22 ARG A 158 -6.363 -23.904 -5.359 1.00 3.91 H new ATOM 2403 N ARG A 159 -11.933 -18.338 -1.993 1.00 1.70 N ATOM 2404 CA ARG A 159 -12.030 -18.049 -0.566 1.00 1.82 C ATOM 2405 C ARG A 159 -13.430 -18.352 -0.018 1.00 1.80 C ATOM 2406 O ARG A 159 -13.609 -18.237 1.192 1.00 2.17 O ATOM 2407 CB ARG A 159 -11.619 -16.595 -0.277 1.00 1.91 C ATOM 2408 CG ARG A 159 -10.094 -16.396 -0.287 1.00 2.11 C ATOM 2409 CD ARG A 159 -9.546 -16.361 1.145 1.00 2.57 C ATOM 2410 NE ARG A 159 -8.085 -16.146 1.189 1.00 3.09 N ATOM 2411 CZ ARG A 159 -7.399 -15.777 2.283 1.00 3.91 C ATOM 2412 NH1 ARG A 159 -6.070 -15.627 2.247 1.00 4.69 N ATOM 2413 NH2 ARG A 159 -8.050 -15.556 3.427 1.00 4.40 N ATOM 0 H ARG A 159 -11.965 -17.512 -2.591 1.00 1.70 H new ATOM 0 HA ARG A 159 -11.335 -18.709 -0.047 1.00 1.82 H new ATOM 0 HB2 ARG A 159 -12.072 -15.939 -1.021 1.00 1.91 H new ATOM 0 HB3 ARG A 159 -12.014 -16.296 0.694 1.00 1.91 H new ATOM 0 HG2 ARG A 159 -9.620 -17.204 -0.844 1.00 2.11 H new ATOM 0 HG3 ARG A 159 -9.846 -15.467 -0.800 1.00 2.11 H new ATOM 0 HD2 ARG A 159 -10.043 -15.566 1.701 1.00 2.57 H new ATOM 0 HD3 ARG A 159 -9.787 -17.299 1.645 1.00 2.57 H new ATOM 0 HE ARG A 159 -7.560 -16.288 0.326 1.00 3.09 H new ATOM 0 HH11 ARG A 159 -5.561 -15.794 1.379 1.00 4.69 H new ATOM 0 HH12 ARG A 159 -5.566 -15.346 3.088 1.00 4.69 H new ATOM 0 HH21 ARG A 159 -9.063 -15.668 3.467 1.00 4.40 H new ATOM 0 HH22 ARG A 159 -7.534 -15.276 4.261 1.00 4.40 H new ATOM 2427 N GLU A 160 -14.395 -18.772 -0.843 1.00 1.56 N ATOM 2428 CA GLU A 160 -15.624 -19.396 -0.381 1.00 1.69 C ATOM 2429 C GLU A 160 -15.757 -20.768 -1.039 1.00 2.52 C ATOM 2430 O GLU A 160 -14.916 -21.065 -1.919 1.00 3.51 O ATOM 2431 CB GLU A 160 -16.844 -18.481 -0.602 1.00 2.30 C ATOM 2432 CG GLU A 160 -17.116 -18.130 -2.073 1.00 2.70 C ATOM 2433 CD GLU A 160 -18.381 -17.276 -2.237 1.00 4.01 C ATOM 2434 OE1 GLU A 160 -18.381 -16.131 -1.729 1.00 4.87 O ATOM 2435 OE2 GLU A 160 -19.337 -17.762 -2.887 1.00 4.78 O ATOM 0 H GLU A 160 -14.338 -18.684 -1.858 1.00 1.56 H new ATOM 0 HA GLU A 160 -15.584 -19.547 0.698 1.00 1.69 H new ATOM 0 HB2 GLU A 160 -17.727 -18.967 -0.188 1.00 2.30 H new ATOM 0 HB3 GLU A 160 -16.696 -17.558 -0.042 1.00 2.30 H new ATOM 0 HG2 GLU A 160 -16.260 -17.592 -2.481 1.00 2.70 H new ATOM 0 HG3 GLU A 160 -17.221 -19.048 -2.651 1.00 2.70 H new TER 2442 GLU A 160