USER MOD reduce.3.24.130724 H: found=0, std=0, add=1233, rem=0, adj=29 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 89 TYR OH : rot 158:sc= 0.734 USER MOD Set 1.2: A 124 SER OG : rot -170:sc= 1.6 USER MOD Set 2.1: A 74 ASN : amide:sc= 0.499 K(o=1.8,f=-1.7) USER MOD Set 2.2: A 75 LYS NZ :NH3+ -136:sc= 1.33 (180deg=-0.481) USER MOD Single : A 1 ALA N :NH3+ 164:sc= 1.84 (180deg=1.2) USER MOD Single : A 3 SER OG : rot 84:sc= 0.674 USER MOD Single : A 4 TYR OH : rot 180:sc=-0.00135 USER MOD Single : A 5 HIS : no HD1:sc= -0.0776 X(o=-0.078,f=0) USER MOD Single : A 13 THR OG1 : rot 2:sc= 1.57 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 21 ASN : amide:sc= -0.424 K(o=-0.42,f=-2.4!) USER MOD Single : A 24 ASN : amide:sc= 0.226 K(o=0.23,f=-5.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -164:sc=-0.00503 (180deg=-0.137) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 34 CYS SG : rot -88:sc= 0.477 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 -57:sc= 0.779 USER MOD Single : A 48 GLN : amide:sc= 0.386 X(o=0.39,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 0.91 (180deg=0.091) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.0057) USER MOD Single : A 67 HIS : no HD1:sc= -0.825 X(o=-0.82,f=-0.89) USER MOD Single : A 72 ASN : amide:sc= -0.0907 K(o=-0.091,f=-5.3!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.18 K(o=-1.2,f=-7.9!) USER MOD Single : A 91 SER OG : rot -110:sc= 0.0103 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.7!) USER MOD Single : A 99 ASN : amide:sc= -0.0694 X(o=-0.069,f=-0.087) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -111:sc= 1.03 (180deg=-0.737) USER MOD Single : A 103 SER OG : rot 26:sc= 0.198 USER MOD Single : A 110 SER OG : rot 130:sc= -0.235 USER MOD Single : A 111 THR OG1 : rot 24:sc= 0.443 USER MOD Single : A 115 SER OG : rot -159:sc= 0.654 USER MOD Single : A 117 ASN : amide:sc= 0.556 K(o=0.56,f=-5.5!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0.662 K(o=0.66,f=0) USER MOD Single : A 126 ASN : amide:sc= 0.878 K(o=0.88,f=-5.9!) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 THR OG1 : rot 79:sc= 0.956 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -33:sc= 0.13 USER MOD Single : A 142 TYR OH : rot -170:sc= 0.703 USER MOD Single : A 143 CYS SG : rot 26:sc= 0.454 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.701 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.318 -10.642 9.280 1.00 2.24 N ATOM 2 CA ALA A 1 -11.699 -10.807 7.961 1.00 2.32 C ATOM 3 C ALA A 1 -12.344 -9.828 6.993 1.00 2.11 C ATOM 4 O ALA A 1 -13.562 -9.808 6.865 1.00 2.09 O ATOM 5 CB ALA A 1 -11.860 -12.241 7.440 1.00 2.90 C ATOM 0 H1 ALA A 1 -12.093 -11.465 9.874 1.00 2.24 H new ATOM 0 H2 ALA A 1 -11.951 -9.779 9.730 1.00 2.24 H new ATOM 0 H3 ALA A 1 -13.349 -10.564 9.172 1.00 2.24 H new ATOM 0 HA ALA A 1 -10.631 -10.607 8.047 1.00 2.32 H new ATOM 0 HB1 ALA A 1 -11.390 -12.327 6.461 1.00 2.90 H new ATOM 0 HB2 ALA A 1 -11.385 -12.935 8.133 1.00 2.90 H new ATOM 0 HB3 ALA A 1 -12.920 -12.481 7.356 1.00 2.90 H new ATOM 11 N PRO A 2 -11.552 -8.978 6.344 1.00 3.07 N ATOM 12 CA PRO A 2 -12.051 -7.940 5.470 1.00 3.74 C ATOM 13 C PRO A 2 -12.471 -8.570 4.146 1.00 3.17 C ATOM 14 O PRO A 2 -11.782 -9.464 3.650 1.00 3.92 O ATOM 15 CB PRO A 2 -10.862 -6.995 5.294 1.00 5.26 C ATOM 16 CG PRO A 2 -9.651 -7.912 5.420 1.00 5.42 C ATOM 17 CD PRO A 2 -10.106 -9.019 6.362 1.00 4.23 C ATOM 0 HA PRO A 2 -12.922 -7.413 5.859 1.00 3.74 H new ATOM 0 HB2 PRO A 2 -10.887 -6.496 4.325 1.00 5.26 H new ATOM 0 HB3 PRO A 2 -10.854 -6.215 6.055 1.00 5.26 H new ATOM 0 HG2 PRO A 2 -9.354 -8.313 4.451 1.00 5.42 H new ATOM 0 HG3 PRO A 2 -8.789 -7.379 5.822 1.00 5.42 H new ATOM 0 HD2 PRO A 2 -9.738 -9.990 6.032 1.00 4.23 H new ATOM 0 HD3 PRO A 2 -9.722 -8.858 7.369 1.00 4.23 H new ATOM 25 N SER A 3 -13.569 -8.108 3.544 1.00 2.06 N ATOM 26 CA SER A 3 -13.872 -8.558 2.194 1.00 1.71 C ATOM 27 C SER A 3 -12.862 -7.930 1.236 1.00 1.51 C ATOM 28 O SER A 3 -12.082 -7.053 1.617 1.00 1.68 O ATOM 29 CB SER A 3 -15.306 -8.211 1.773 1.00 1.92 C ATOM 30 OG SER A 3 -16.188 -8.217 2.875 1.00 2.47 O ATOM 0 H SER A 3 -14.234 -7.451 3.952 1.00 2.06 H new ATOM 0 HA SER A 3 -13.797 -9.645 2.164 1.00 1.71 H new ATOM 0 HB2 SER A 3 -15.319 -7.229 1.301 1.00 1.92 H new ATOM 0 HB3 SER A 3 -15.650 -8.928 1.027 1.00 1.92 H new ATOM 0 HG SER A 3 -16.146 -7.351 3.332 1.00 2.47 H new ATOM 36 N TYR A 4 -12.894 -8.359 -0.024 1.00 1.26 N ATOM 37 CA TYR A 4 -12.141 -7.709 -1.078 1.00 1.21 C ATOM 38 C TYR A 4 -13.113 -7.026 -2.018 1.00 1.12 C ATOM 39 O TYR A 4 -14.240 -7.477 -2.218 1.00 1.39 O ATOM 40 CB TYR A 4 -11.321 -8.714 -1.886 1.00 1.48 C ATOM 41 CG TYR A 4 -9.862 -8.808 -1.504 1.00 2.95 C ATOM 42 CD1 TYR A 4 -9.357 -9.943 -0.846 1.00 3.19 C ATOM 43 CD2 TYR A 4 -8.996 -7.767 -1.881 1.00 4.84 C ATOM 44 CE1 TYR A 4 -7.976 -10.063 -0.610 1.00 4.81 C ATOM 45 CE2 TYR A 4 -7.624 -7.862 -1.605 1.00 6.41 C ATOM 46 CZ TYR A 4 -7.104 -9.014 -0.982 1.00 6.28 C ATOM 47 OH TYR A 4 -5.769 -9.087 -0.728 1.00 7.95 O ATOM 0 H TYR A 4 -13.441 -9.162 -0.335 1.00 1.26 H new ATOM 0 HA TYR A 4 -11.459 -6.994 -0.617 1.00 1.21 H new ATOM 0 HB2 TYR A 4 -11.773 -9.700 -1.776 1.00 1.48 H new ATOM 0 HB3 TYR A 4 -11.388 -8.449 -2.941 1.00 1.48 H new ATOM 0 HD1 TYR A 4 -10.030 -10.723 -0.522 1.00 3.19 H new ATOM 0 HD2 TYR A 4 -9.387 -6.894 -2.383 1.00 4.84 H new ATOM 0 HE1 TYR A 4 -7.582 -10.955 -0.145 1.00 4.81 H new ATOM 0 HE2 TYR A 4 -6.964 -7.050 -1.871 1.00 6.41 H new ATOM 0 HH TYR A 4 -5.329 -8.275 -1.055 1.00 7.95 H new ATOM 57 N HIS A 5 -12.600 -5.998 -2.675 1.00 1.05 N ATOM 58 CA HIS A 5 -13.271 -5.283 -3.739 1.00 1.05 C ATOM 59 C HIS A 5 -12.181 -4.833 -4.702 1.00 0.99 C ATOM 60 O HIS A 5 -11.233 -4.172 -4.299 1.00 1.20 O ATOM 61 CB HIS A 5 -14.020 -4.094 -3.130 1.00 1.21 C ATOM 62 CG HIS A 5 -15.062 -3.448 -4.007 1.00 1.52 C ATOM 63 ND1 HIS A 5 -16.183 -2.798 -3.541 1.00 2.25 N ATOM 64 CD2 HIS A 5 -15.083 -3.376 -5.376 1.00 1.29 C ATOM 65 CE1 HIS A 5 -16.864 -2.346 -4.608 1.00 2.41 C ATOM 66 NE2 HIS A 5 -16.237 -2.682 -5.747 1.00 1.82 N ATOM 0 H HIS A 5 -11.671 -5.628 -2.472 1.00 1.05 H new ATOM 0 HA HIS A 5 -14.002 -5.894 -4.269 1.00 1.05 H new ATOM 0 HB2 HIS A 5 -14.503 -4.427 -2.211 1.00 1.21 H new ATOM 0 HB3 HIS A 5 -13.289 -3.335 -2.849 1.00 1.21 H new ATOM 0 HD2 HIS A 5 -14.341 -3.783 -6.047 1.00 1.29 H new ATOM 0 HE1 HIS A 5 -17.788 -1.789 -4.556 1.00 2.41 H new ATOM 0 HE2 HIS A 5 -16.543 -2.472 -6.697 1.00 1.82 H new ATOM 74 N VAL A 6 -12.268 -5.203 -5.972 1.00 0.83 N ATOM 75 CA VAL A 6 -11.317 -4.706 -6.963 1.00 0.86 C ATOM 76 C VAL A 6 -11.991 -3.639 -7.812 1.00 0.85 C ATOM 77 O VAL A 6 -13.166 -3.787 -8.141 1.00 0.86 O ATOM 78 CB VAL A 6 -10.796 -5.863 -7.814 1.00 0.97 C ATOM 79 CG1 VAL A 6 -9.713 -5.350 -8.764 1.00 1.66 C ATOM 80 CG2 VAL A 6 -10.192 -6.933 -6.904 1.00 1.42 C ATOM 0 H VAL A 6 -12.977 -5.837 -6.340 1.00 0.83 H new ATOM 0 HA VAL A 6 -10.459 -4.255 -6.465 1.00 0.86 H new ATOM 0 HB VAL A 6 -11.620 -6.288 -8.388 1.00 0.97 H new ATOM 0 HG11 VAL A 6 -9.341 -6.175 -9.371 1.00 1.66 H new ATOM 0 HG12 VAL A 6 -10.133 -4.582 -9.414 1.00 1.66 H new ATOM 0 HG13 VAL A 6 -8.892 -4.927 -8.185 1.00 1.66 H new ATOM 0 HG21 VAL A 6 -9.820 -7.759 -7.511 1.00 1.42 H new ATOM 0 HG22 VAL A 6 -9.369 -6.503 -6.333 1.00 1.42 H new ATOM 0 HG23 VAL A 6 -10.956 -7.301 -6.219 1.00 1.42 H new ATOM 90 N VAL A 7 -11.259 -2.580 -8.167 1.00 0.90 N ATOM 91 CA VAL A 7 -11.798 -1.487 -8.952 1.00 0.93 C ATOM 92 C VAL A 7 -10.790 -1.118 -10.039 1.00 1.01 C ATOM 93 O VAL A 7 -9.612 -0.875 -9.770 1.00 1.15 O ATOM 94 CB VAL A 7 -12.111 -0.286 -8.036 1.00 1.05 C ATOM 95 CG1 VAL A 7 -12.921 0.765 -8.804 1.00 2.01 C ATOM 96 CG2 VAL A 7 -12.915 -0.700 -6.794 1.00 1.40 C ATOM 0 H VAL A 7 -10.278 -2.464 -7.914 1.00 0.90 H new ATOM 0 HA VAL A 7 -12.731 -1.787 -9.429 1.00 0.93 H new ATOM 0 HB VAL A 7 -11.154 0.123 -7.713 1.00 1.05 H new ATOM 0 HG11 VAL A 7 -13.137 1.609 -8.148 1.00 2.01 H new ATOM 0 HG12 VAL A 7 -12.346 1.111 -9.663 1.00 2.01 H new ATOM 0 HG13 VAL A 7 -13.857 0.324 -9.147 1.00 2.01 H new ATOM 0 HG21 VAL A 7 -13.112 0.178 -6.179 1.00 1.40 H new ATOM 0 HG22 VAL A 7 -13.860 -1.145 -7.104 1.00 1.40 H new ATOM 0 HG23 VAL A 7 -12.344 -1.427 -6.217 1.00 1.40 H new ATOM 106 N ARG A 8 -11.261 -1.007 -11.281 1.00 1.03 N ATOM 107 CA ARG A 8 -10.429 -0.580 -12.389 1.00 1.19 C ATOM 108 C ARG A 8 -10.391 0.938 -12.352 1.00 1.08 C ATOM 109 O ARG A 8 -11.272 1.609 -12.888 1.00 1.14 O ATOM 110 CB ARG A 8 -11.060 -1.063 -13.707 1.00 1.46 C ATOM 111 CG ARG A 8 -10.260 -0.685 -14.964 1.00 2.18 C ATOM 112 CD ARG A 8 -11.161 -0.103 -16.060 1.00 3.08 C ATOM 113 NE ARG A 8 -11.614 1.238 -15.678 1.00 4.23 N ATOM 114 CZ ARG A 8 -12.502 2.015 -16.299 1.00 5.23 C ATOM 115 NH1 ARG A 8 -12.820 3.193 -15.762 1.00 6.47 N ATOM 116 NH2 ARG A 8 -13.062 1.616 -17.440 1.00 5.53 N ATOM 0 H ARG A 8 -12.226 -1.211 -11.539 1.00 1.03 H new ATOM 0 HA ARG A 8 -9.422 -0.991 -12.318 1.00 1.19 H new ATOM 0 HB2 ARG A 8 -11.166 -2.147 -13.670 1.00 1.46 H new ATOM 0 HB3 ARG A 8 -12.064 -0.647 -13.790 1.00 1.46 H new ATOM 0 HG2 ARG A 8 -9.492 0.042 -14.701 1.00 2.18 H new ATOM 0 HG3 ARG A 8 -9.746 -1.567 -15.346 1.00 2.18 H new ATOM 0 HD2 ARG A 8 -10.617 -0.057 -17.003 1.00 3.08 H new ATOM 0 HD3 ARG A 8 -12.020 -0.754 -16.220 1.00 3.08 H new ATOM 0 HE ARG A 8 -11.198 1.625 -14.831 1.00 4.23 H new ATOM 0 HH11 ARG A 8 -12.386 3.489 -14.888 1.00 6.47 H new ATOM 0 HH12 ARG A 8 -13.498 3.798 -16.225 1.00 6.47 H new ATOM 0 HH21 ARG A 8 -12.812 0.713 -17.842 1.00 5.53 H new ATOM 0 HH22 ARG A 8 -13.741 2.214 -17.911 1.00 5.53 H new ATOM 130 N GLY A 9 -9.342 1.496 -11.769 1.00 1.08 N ATOM 131 CA GLY A 9 -9.090 2.911 -11.842 1.00 1.12 C ATOM 132 C GLY A 9 -7.643 3.147 -11.466 1.00 1.01 C ATOM 133 O GLY A 9 -6.805 2.247 -11.561 1.00 1.00 O ATOM 0 H GLY A 9 -8.647 0.975 -11.235 1.00 1.08 H new ATOM 0 HA2 GLY A 9 -9.288 3.282 -12.848 1.00 1.12 H new ATOM 0 HA3 GLY A 9 -9.753 3.452 -11.166 1.00 1.12 H new ATOM 137 N ASP A 10 -7.389 4.361 -11.016 1.00 1.04 N ATOM 138 CA ASP A 10 -6.093 4.851 -10.610 1.00 0.90 C ATOM 139 C ASP A 10 -6.157 5.158 -9.121 1.00 0.88 C ATOM 140 O ASP A 10 -7.230 5.296 -8.531 1.00 0.94 O ATOM 141 CB ASP A 10 -5.738 6.112 -11.407 1.00 0.85 C ATOM 142 CG ASP A 10 -5.423 5.776 -12.862 1.00 1.99 C ATOM 143 OD1 ASP A 10 -6.276 6.079 -13.726 1.00 3.23 O ATOM 144 OD2 ASP A 10 -4.329 5.212 -13.082 1.00 2.56 O ATOM 0 H ASP A 10 -8.121 5.065 -10.920 1.00 1.04 H new ATOM 0 HA ASP A 10 -5.322 4.105 -10.803 1.00 0.90 H new ATOM 0 HB2 ASP A 10 -6.568 6.817 -11.366 1.00 0.85 H new ATOM 0 HB3 ASP A 10 -4.879 6.604 -10.951 1.00 0.85 H new ATOM 149 N ILE A 11 -4.991 5.314 -8.510 1.00 0.85 N ATOM 150 CA ILE A 11 -4.869 5.638 -7.095 1.00 0.90 C ATOM 151 C ILE A 11 -5.456 7.028 -6.838 1.00 0.82 C ATOM 152 O ILE A 11 -6.065 7.280 -5.806 1.00 0.82 O ATOM 153 CB ILE A 11 -3.387 5.534 -6.703 1.00 0.95 C ATOM 154 CG1 ILE A 11 -2.870 4.099 -6.933 1.00 2.13 C ATOM 155 CG2 ILE A 11 -3.144 5.911 -5.240 1.00 1.75 C ATOM 156 CD1 ILE A 11 -1.420 4.131 -7.414 1.00 3.25 C ATOM 0 H ILE A 11 -4.094 5.218 -8.987 1.00 0.85 H new ATOM 0 HA ILE A 11 -5.431 4.939 -6.475 1.00 0.90 H new ATOM 0 HB ILE A 11 -2.848 6.240 -7.335 1.00 0.95 H new ATOM 0 HG12 ILE A 11 -2.941 3.526 -6.008 1.00 2.13 H new ATOM 0 HG13 ILE A 11 -3.494 3.594 -7.670 1.00 2.13 H new ATOM 0 HG21 ILE A 11 -2.082 5.821 -5.013 1.00 1.75 H new ATOM 0 HG22 ILE A 11 -3.466 6.939 -5.071 1.00 1.75 H new ATOM 0 HG23 ILE A 11 -3.711 5.242 -4.593 1.00 1.75 H new ATOM 0 HD11 ILE A 11 -1.067 3.112 -7.573 1.00 3.25 H new ATOM 0 HD12 ILE A 11 -1.359 4.686 -8.350 1.00 3.25 H new ATOM 0 HD13 ILE A 11 -0.798 4.618 -6.663 1.00 3.25 H new ATOM 168 N ALA A 12 -5.324 7.933 -7.807 1.00 0.79 N ATOM 169 CA ALA A 12 -5.879 9.275 -7.719 1.00 0.78 C ATOM 170 C ALA A 12 -7.412 9.277 -7.802 1.00 0.76 C ATOM 171 O ALA A 12 -8.027 10.315 -7.570 1.00 0.75 O ATOM 172 CB ALA A 12 -5.277 10.159 -8.816 1.00 0.83 C ATOM 0 H ALA A 12 -4.826 7.751 -8.678 1.00 0.79 H new ATOM 0 HA ALA A 12 -5.615 9.680 -6.742 1.00 0.78 H new ATOM 0 HB1 ALA A 12 -5.696 11.163 -8.745 1.00 0.83 H new ATOM 0 HB2 ALA A 12 -4.195 10.208 -8.691 1.00 0.83 H new ATOM 0 HB3 ALA A 12 -5.511 9.736 -9.793 1.00 0.83 H new ATOM 178 N THR A 13 -8.034 8.138 -8.120 1.00 0.81 N ATOM 179 CA THR A 13 -9.484 7.991 -8.123 1.00 0.80 C ATOM 180 C THR A 13 -9.930 7.017 -7.032 1.00 0.74 C ATOM 181 O THR A 13 -11.102 6.659 -6.978 1.00 0.77 O ATOM 182 CB THR A 13 -9.960 7.537 -9.512 1.00 0.85 C ATOM 183 OG1 THR A 13 -9.310 6.352 -9.924 1.00 0.84 O ATOM 184 CG2 THR A 13 -9.666 8.602 -10.570 1.00 0.93 C ATOM 0 H THR A 13 -7.537 7.287 -8.384 1.00 0.81 H new ATOM 0 HA THR A 13 -9.941 8.956 -7.905 1.00 0.80 H new ATOM 0 HB THR A 13 -11.033 7.366 -9.423 1.00 0.85 H new ATOM 0 HG1 THR A 13 -8.701 6.050 -9.218 1.00 0.84 H new ATOM 0 HG21 THR A 13 -10.013 8.254 -11.543 1.00 0.93 H new ATOM 0 HG22 THR A 13 -10.182 9.526 -10.310 1.00 0.93 H new ATOM 0 HG23 THR A 13 -8.592 8.786 -10.613 1.00 0.93 H new ATOM 192 N ALA A 14 -9.017 6.579 -6.162 1.00 0.70 N ATOM 193 CA ALA A 14 -9.303 5.657 -5.079 1.00 0.66 C ATOM 194 C ALA A 14 -9.795 6.456 -3.881 1.00 0.66 C ATOM 195 O ALA A 14 -9.158 6.496 -2.833 1.00 0.68 O ATOM 196 CB ALA A 14 -8.032 4.870 -4.753 1.00 0.66 C ATOM 0 H ALA A 14 -8.039 6.866 -6.198 1.00 0.70 H new ATOM 0 HA ALA A 14 -10.079 4.945 -5.359 1.00 0.66 H new ATOM 0 HB1 ALA A 14 -8.234 4.173 -3.940 1.00 0.66 H new ATOM 0 HB2 ALA A 14 -7.711 4.316 -5.635 1.00 0.66 H new ATOM 0 HB3 ALA A 14 -7.244 5.560 -4.452 1.00 0.66 H new ATOM 202 N THR A 15 -10.906 7.164 -4.044 1.00 0.68 N ATOM 203 CA THR A 15 -11.408 8.111 -3.064 1.00 0.71 C ATOM 204 C THR A 15 -12.167 7.424 -1.919 1.00 0.66 C ATOM 205 O THR A 15 -13.197 7.928 -1.475 1.00 0.71 O ATOM 206 CB THR A 15 -12.283 9.129 -3.806 1.00 0.80 C ATOM 207 OG1 THR A 15 -13.242 8.464 -4.598 1.00 1.28 O ATOM 208 CG2 THR A 15 -11.435 10.006 -4.732 1.00 1.03 C ATOM 0 H THR A 15 -11.491 7.093 -4.876 1.00 0.68 H new ATOM 0 HA THR A 15 -10.571 8.618 -2.583 1.00 0.71 H new ATOM 0 HB THR A 15 -12.772 9.749 -3.054 1.00 0.80 H new ATOM 0 HG1 THR A 15 -13.795 9.124 -5.065 1.00 1.28 H new ATOM 0 HG21 THR A 15 -12.078 10.720 -5.247 1.00 1.03 H new ATOM 0 HG22 THR A 15 -10.693 10.545 -4.143 1.00 1.03 H new ATOM 0 HG23 THR A 15 -10.930 9.378 -5.466 1.00 1.03 H new ATOM 216 N GLU A 16 -11.648 6.321 -1.378 1.00 0.62 N ATOM 217 CA GLU A 16 -12.229 5.532 -0.291 1.00 0.62 C ATOM 218 C GLU A 16 -12.014 6.176 1.084 1.00 0.75 C ATOM 219 O GLU A 16 -11.835 5.503 2.096 1.00 0.82 O ATOM 220 CB GLU A 16 -11.605 4.126 -0.342 1.00 0.58 C ATOM 221 CG GLU A 16 -12.466 3.147 -1.138 1.00 0.61 C ATOM 222 CD GLU A 16 -12.633 3.540 -2.603 1.00 1.83 C ATOM 223 OE1 GLU A 16 -11.703 4.147 -3.175 1.00 2.97 O ATOM 224 OE2 GLU A 16 -13.687 3.190 -3.174 1.00 2.77 O ATOM 0 H GLU A 16 -10.763 5.933 -1.704 1.00 0.62 H new ATOM 0 HA GLU A 16 -13.309 5.480 -0.429 1.00 0.62 H new ATOM 0 HB2 GLU A 16 -10.614 4.185 -0.791 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -11.473 3.751 0.673 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -12.019 2.154 -1.084 1.00 0.61 H new ATOM 0 HG3 GLU A 16 -13.450 3.079 -0.673 1.00 0.61 H new ATOM 231 N GLY A 17 -11.995 7.503 1.159 1.00 0.87 N ATOM 232 CA GLY A 17 -11.720 8.204 2.401 1.00 1.01 C ATOM 233 C GLY A 17 -10.219 8.289 2.663 1.00 1.04 C ATOM 234 O GLY A 17 -9.739 9.335 3.097 1.00 1.18 O ATOM 0 H GLY A 17 -12.169 8.117 0.363 1.00 0.87 H new ATOM 0 HA2 GLY A 17 -12.142 9.208 2.357 1.00 1.01 H new ATOM 0 HA3 GLY A 17 -12.208 7.689 3.229 1.00 1.01 H new ATOM 238 N VAL A 18 -9.490 7.202 2.408 1.00 0.94 N ATOM 239 CA VAL A 18 -8.080 7.038 2.704 1.00 1.01 C ATOM 240 C VAL A 18 -7.457 6.265 1.546 1.00 0.84 C ATOM 241 O VAL A 18 -8.133 5.474 0.889 1.00 0.83 O ATOM 242 CB VAL A 18 -7.935 6.284 4.038 1.00 1.17 C ATOM 243 CG1 VAL A 18 -6.474 5.973 4.388 1.00 1.28 C ATOM 244 CG2 VAL A 18 -8.530 7.129 5.168 1.00 1.62 C ATOM 0 H VAL A 18 -9.894 6.375 1.968 1.00 0.94 H new ATOM 0 HA VAL A 18 -7.571 7.996 2.809 1.00 1.01 H new ATOM 0 HB VAL A 18 -8.465 5.338 3.926 1.00 1.17 H new ATOM 0 HG11 VAL A 18 -6.433 5.441 5.338 1.00 1.28 H new ATOM 0 HG12 VAL A 18 -6.037 5.353 3.606 1.00 1.28 H new ATOM 0 HG13 VAL A 18 -5.913 6.904 4.469 1.00 1.28 H new ATOM 0 HG21 VAL A 18 -8.428 6.596 6.113 1.00 1.62 H new ATOM 0 HG22 VAL A 18 -8.001 8.080 5.229 1.00 1.62 H new ATOM 0 HG23 VAL A 18 -9.585 7.313 4.968 1.00 1.62 H new ATOM 254 N ILE A 19 -6.168 6.504 1.312 1.00 0.77 N ATOM 255 CA ILE A 19 -5.377 5.915 0.247 1.00 0.68 C ATOM 256 C ILE A 19 -4.025 5.574 0.865 1.00 0.67 C ATOM 257 O ILE A 19 -3.565 6.304 1.744 1.00 0.68 O ATOM 258 CB ILE A 19 -5.215 6.922 -0.912 1.00 0.76 C ATOM 259 CG1 ILE A 19 -6.551 7.619 -1.227 1.00 0.76 C ATOM 260 CG2 ILE A 19 -4.650 6.219 -2.152 1.00 1.02 C ATOM 261 CD1 ILE A 19 -6.513 8.552 -2.441 1.00 1.37 C ATOM 0 H ILE A 19 -5.626 7.145 1.891 1.00 0.77 H new ATOM 0 HA ILE A 19 -5.853 5.026 -0.167 1.00 0.68 H new ATOM 0 HB ILE A 19 -4.508 7.692 -0.605 1.00 0.76 H new ATOM 0 HG12 ILE A 19 -7.312 6.857 -1.394 1.00 0.76 H new ATOM 0 HG13 ILE A 19 -6.861 8.193 -0.354 1.00 0.76 H new ATOM 0 HG21 ILE A 19 -4.541 6.941 -2.961 1.00 1.02 H new ATOM 0 HG22 ILE A 19 -3.677 5.790 -1.915 1.00 1.02 H new ATOM 0 HG23 ILE A 19 -5.330 5.426 -2.462 1.00 1.02 H new ATOM 0 HD11 ILE A 19 -7.496 8.999 -2.588 1.00 1.37 H new ATOM 0 HD12 ILE A 19 -5.778 9.339 -2.272 1.00 1.37 H new ATOM 0 HD13 ILE A 19 -6.237 7.983 -3.329 1.00 1.37 H new ATOM 273 N ILE A 20 -3.379 4.493 0.426 1.00 0.65 N ATOM 274 CA ILE A 20 -2.067 4.114 0.925 1.00 0.62 C ATOM 275 C ILE A 20 -1.118 4.104 -0.267 1.00 0.59 C ATOM 276 O ILE A 20 -1.370 3.413 -1.252 1.00 0.59 O ATOM 277 CB ILE A 20 -2.109 2.745 1.629 1.00 0.66 C ATOM 278 CG1 ILE A 20 -3.103 2.682 2.805 1.00 0.73 C ATOM 279 CG2 ILE A 20 -0.733 2.403 2.209 1.00 0.72 C ATOM 280 CD1 ILE A 20 -4.543 2.465 2.367 1.00 0.75 C ATOM 0 H ILE A 20 -3.753 3.861 -0.282 1.00 0.65 H new ATOM 0 HA ILE A 20 -1.723 4.826 1.675 1.00 0.62 H new ATOM 0 HB ILE A 20 -2.425 2.042 0.858 1.00 0.66 H new ATOM 0 HG12 ILE A 20 -2.810 1.875 3.476 1.00 0.73 H new ATOM 0 HG13 ILE A 20 -3.040 3.609 3.375 1.00 0.73 H new ATOM 0 HG21 ILE A 20 -0.778 1.433 2.704 1.00 0.72 H new ATOM 0 HG22 ILE A 20 0.002 2.367 1.405 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -0.443 3.166 2.932 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -5.189 2.431 3.244 1.00 0.75 H new ATOM 0 HD12 ILE A 20 -4.854 3.285 1.719 1.00 0.75 H new ATOM 0 HD13 ILE A 20 -4.620 1.524 1.823 1.00 0.75 H new ATOM 292 N ASN A 21 -0.018 4.847 -0.152 1.00 0.66 N ATOM 293 CA ASN A 21 1.050 4.904 -1.134 1.00 0.68 C ATOM 294 C ASN A 21 2.308 4.332 -0.494 1.00 0.58 C ATOM 295 O ASN A 21 2.469 4.339 0.728 1.00 0.55 O ATOM 296 CB ASN A 21 1.295 6.356 -1.589 1.00 0.74 C ATOM 297 CG ASN A 21 0.579 6.667 -2.895 1.00 1.30 C ATOM 298 OD1 ASN A 21 -0.548 6.246 -3.111 1.00 2.53 O ATOM 299 ND2 ASN A 21 1.216 7.397 -3.804 1.00 1.81 N ATOM 0 H ASN A 21 0.154 5.444 0.657 1.00 0.66 H new ATOM 0 HA ASN A 21 0.776 4.324 -2.015 1.00 0.68 H new ATOM 0 HB2 ASN A 21 0.953 7.042 -0.814 1.00 0.74 H new ATOM 0 HB3 ASN A 21 2.365 6.523 -1.712 1.00 0.74 H new ATOM 0 HD21 ASN A 21 0.765 7.612 -4.693 1.00 1.81 H new ATOM 0 HD22 ASN A 21 2.156 7.743 -3.613 1.00 1.81 H new ATOM 306 N ALA A 22 3.223 3.851 -1.334 1.00 0.69 N ATOM 307 CA ALA A 22 4.560 3.537 -0.873 1.00 0.71 C ATOM 308 C ALA A 22 5.293 4.830 -0.502 1.00 0.87 C ATOM 309 O ALA A 22 4.887 5.927 -0.875 1.00 1.87 O ATOM 310 CB ALA A 22 5.317 2.764 -1.958 1.00 1.03 C ATOM 0 H ALA A 22 3.059 3.674 -2.325 1.00 0.69 H new ATOM 0 HA ALA A 22 4.504 2.907 0.015 1.00 0.71 H new ATOM 0 HB1 ALA A 22 6.322 2.531 -1.605 1.00 1.03 H new ATOM 0 HB2 ALA A 22 4.787 1.838 -2.182 1.00 1.03 H new ATOM 0 HB3 ALA A 22 5.381 3.372 -2.860 1.00 1.03 H new ATOM 316 N ALA A 23 6.391 4.684 0.229 1.00 0.49 N ATOM 317 CA ALA A 23 7.227 5.786 0.684 1.00 0.71 C ATOM 318 C ALA A 23 8.660 5.303 0.874 1.00 0.67 C ATOM 319 O ALA A 23 9.621 5.891 0.387 1.00 0.80 O ATOM 320 CB ALA A 23 6.667 6.315 2.005 1.00 1.07 C ATOM 0 H ALA A 23 6.733 3.771 0.529 1.00 0.49 H new ATOM 0 HA ALA A 23 7.227 6.585 -0.058 1.00 0.71 H new ATOM 0 HB1 ALA A 23 7.284 7.141 2.357 1.00 1.07 H new ATOM 0 HB2 ALA A 23 5.646 6.664 1.853 1.00 1.07 H new ATOM 0 HB3 ALA A 23 6.671 5.517 2.748 1.00 1.07 H new ATOM 326 N ASN A 24 8.802 4.199 1.601 1.00 0.62 N ATOM 327 CA ASN A 24 10.076 3.628 2.001 1.00 0.69 C ATOM 328 C ASN A 24 10.934 4.632 2.771 1.00 0.76 C ATOM 329 O ASN A 24 10.530 5.760 3.041 1.00 0.85 O ATOM 330 CB ASN A 24 10.764 2.990 0.785 1.00 0.97 C ATOM 331 CG ASN A 24 10.042 1.718 0.369 1.00 1.79 C ATOM 332 OD1 ASN A 24 8.830 1.597 0.523 1.00 1.68 O ATOM 333 ND2 ASN A 24 10.781 0.741 -0.126 1.00 3.40 N ATOM 0 H ASN A 24 8.003 3.662 1.938 1.00 0.62 H new ATOM 0 HA ASN A 24 9.909 2.823 2.716 1.00 0.69 H new ATOM 0 HB2 ASN A 24 10.776 3.696 -0.045 1.00 0.97 H new ATOM 0 HB3 ASN A 24 11.803 2.763 1.025 1.00 0.97 H new ATOM 0 HD21 ASN A 24 10.346 -0.143 -0.392 1.00 3.40 H new ATOM 0 HD22 ASN A 24 11.786 0.871 -0.243 1.00 3.40 H new ATOM 340 N SER A 25 12.155 4.226 3.117 1.00 0.89 N ATOM 341 CA SER A 25 13.121 5.112 3.751 1.00 1.09 C ATOM 342 C SER A 25 13.427 6.333 2.869 1.00 1.29 C ATOM 343 O SER A 25 13.872 7.371 3.348 1.00 1.39 O ATOM 344 CB SER A 25 14.374 4.293 4.087 1.00 1.26 C ATOM 345 OG SER A 25 15.236 4.984 4.961 1.00 1.79 O ATOM 0 H SER A 25 12.498 3.277 2.965 1.00 0.89 H new ATOM 0 HA SER A 25 12.709 5.519 4.675 1.00 1.09 H new ATOM 0 HB2 SER A 25 14.078 3.347 4.542 1.00 1.26 H new ATOM 0 HB3 SER A 25 14.907 4.052 3.167 1.00 1.26 H new ATOM 0 HG SER A 25 16.021 4.430 5.152 1.00 1.79 H new ATOM 351 N LYS A 26 13.167 6.223 1.563 1.00 1.44 N ATOM 352 CA LYS A 26 13.422 7.285 0.607 1.00 1.70 C ATOM 353 C LYS A 26 12.412 8.418 0.784 1.00 1.65 C ATOM 354 O LYS A 26 12.704 9.549 0.416 1.00 1.89 O ATOM 355 CB LYS A 26 13.349 6.747 -0.830 1.00 1.68 C ATOM 356 CG LYS A 26 14.366 5.644 -1.168 1.00 2.00 C ATOM 357 CD LYS A 26 13.989 4.256 -0.628 1.00 3.00 C ATOM 358 CE LYS A 26 14.699 3.131 -1.393 1.00 2.76 C ATOM 359 NZ LYS A 26 14.163 2.960 -2.763 1.00 3.01 N ATOM 0 H LYS A 26 12.770 5.382 1.143 1.00 1.44 H new ATOM 0 HA LYS A 26 14.425 7.671 0.790 1.00 1.70 H new ATOM 0 HB2 LYS A 26 12.345 6.360 -1.006 1.00 1.68 H new ATOM 0 HB3 LYS A 26 13.495 7.578 -1.520 1.00 1.68 H new ATOM 0 HG2 LYS A 26 14.474 5.584 -2.251 1.00 2.00 H new ATOM 0 HG3 LYS A 26 15.339 5.926 -0.766 1.00 2.00 H new ATOM 0 HD2 LYS A 26 14.248 4.195 0.429 1.00 3.00 H new ATOM 0 HD3 LYS A 26 12.910 4.119 -0.700 1.00 3.00 H new ATOM 0 HE2 LYS A 26 15.766 3.348 -1.447 1.00 2.76 H new ATOM 0 HE3 LYS A 26 14.591 2.196 -0.843 1.00 2.76 H new ATOM 0 HZ1 LYS A 26 14.467 2.040 -3.142 1.00 3.01 H new ATOM 0 HZ2 LYS A 26 13.124 2.998 -2.737 1.00 3.01 H new ATOM 0 HZ3 LYS A 26 14.522 3.722 -3.374 1.00 3.01 H new ATOM 373 N GLY A 27 11.210 8.108 1.277 1.00 1.44 N ATOM 374 CA GLY A 27 10.119 9.061 1.377 1.00 1.51 C ATOM 375 C GLY A 27 9.298 9.139 0.094 1.00 1.40 C ATOM 376 O GLY A 27 8.379 9.947 0.001 1.00 1.53 O ATOM 0 H GLY A 27 10.972 7.177 1.619 1.00 1.44 H new ATOM 0 HA2 GLY A 27 9.469 8.779 2.205 1.00 1.51 H new ATOM 0 HA3 GLY A 27 10.521 10.047 1.609 1.00 1.51 H new ATOM 380 N GLN A 28 9.586 8.291 -0.897 1.00 1.25 N ATOM 381 CA GLN A 28 9.002 8.368 -2.219 1.00 1.21 C ATOM 382 C GLN A 28 8.440 6.999 -2.605 1.00 1.09 C ATOM 383 O GLN A 28 9.172 6.009 -2.580 1.00 1.09 O ATOM 384 CB GLN A 28 10.090 8.815 -3.203 1.00 1.34 C ATOM 385 CG GLN A 28 9.546 8.855 -4.633 1.00 1.31 C ATOM 386 CD GLN A 28 10.562 9.402 -5.629 1.00 1.50 C ATOM 387 OE1 GLN A 28 11.766 9.297 -5.434 1.00 2.22 O ATOM 388 NE2 GLN A 28 10.096 9.979 -6.729 1.00 1.98 N ATOM 0 H GLN A 28 10.246 7.520 -0.791 1.00 1.25 H new ATOM 0 HA GLN A 28 8.184 9.088 -2.240 1.00 1.21 H new ATOM 0 HB2 GLN A 28 10.458 9.802 -2.921 1.00 1.34 H new ATOM 0 HB3 GLN A 28 10.937 8.131 -3.150 1.00 1.34 H new ATOM 0 HG2 GLN A 28 9.251 7.850 -4.934 1.00 1.31 H new ATOM 0 HG3 GLN A 28 8.648 9.472 -4.659 1.00 1.31 H new ATOM 0 HE21 GLN A 28 9.090 10.058 -6.876 1.00 1.98 H new ATOM 0 HE22 GLN A 28 10.744 10.343 -7.428 1.00 1.98 H new ATOM 397 N PRO A 29 7.168 6.922 -3.021 1.00 1.03 N ATOM 398 CA PRO A 29 6.637 5.716 -3.617 1.00 0.98 C ATOM 399 C PRO A 29 7.400 5.424 -4.901 1.00 0.99 C ATOM 400 O PRO A 29 7.417 6.248 -5.813 1.00 1.13 O ATOM 401 CB PRO A 29 5.153 5.970 -3.903 1.00 0.99 C ATOM 402 CG PRO A 29 4.946 7.470 -3.709 1.00 1.11 C ATOM 403 CD PRO A 29 6.196 7.996 -3.004 1.00 1.12 C ATOM 0 HA PRO A 29 6.743 4.855 -2.958 1.00 0.98 H new ATOM 0 HB2 PRO A 29 4.892 5.667 -4.917 1.00 0.99 H new ATOM 0 HB3 PRO A 29 4.520 5.397 -3.226 1.00 0.99 H new ATOM 0 HG2 PRO A 29 4.803 7.969 -4.668 1.00 1.11 H new ATOM 0 HG3 PRO A 29 4.054 7.664 -3.113 1.00 1.11 H new ATOM 0 HD2 PRO A 29 6.585 8.878 -3.513 1.00 1.12 H new ATOM 0 HD3 PRO A 29 5.967 8.294 -1.981 1.00 1.12 H new ATOM 411 N GLY A 30 8.025 4.249 -4.983 1.00 1.07 N ATOM 412 CA GLY A 30 8.755 3.870 -6.180 1.00 1.16 C ATOM 413 C GLY A 30 7.802 3.735 -7.367 1.00 1.40 C ATOM 414 O GLY A 30 7.048 2.770 -7.440 1.00 2.21 O ATOM 0 H GLY A 30 8.037 3.552 -4.238 1.00 1.07 H new ATOM 0 HA2 GLY A 30 9.517 4.618 -6.401 1.00 1.16 H new ATOM 0 HA3 GLY A 30 9.274 2.926 -6.013 1.00 1.16 H new ATOM 418 N GLY A 31 7.829 4.691 -8.296 1.00 1.21 N ATOM 419 CA GLY A 31 7.002 4.674 -9.490 1.00 1.67 C ATOM 420 C GLY A 31 6.565 6.095 -9.830 1.00 1.38 C ATOM 421 O GLY A 31 7.006 7.053 -9.200 1.00 2.91 O ATOM 0 H GLY A 31 8.437 5.508 -8.234 1.00 1.21 H new ATOM 0 HA2 GLY A 31 7.558 4.244 -10.323 1.00 1.67 H new ATOM 0 HA3 GLY A 31 6.128 4.042 -9.330 1.00 1.67 H new ATOM 425 N GLY A 32 5.666 6.236 -10.806 1.00 1.04 N ATOM 426 CA GLY A 32 5.129 7.538 -11.187 1.00 1.53 C ATOM 427 C GLY A 32 3.817 7.851 -10.470 1.00 1.19 C ATOM 428 O GLY A 32 3.188 8.870 -10.747 1.00 1.29 O ATOM 0 H GLY A 32 5.294 5.457 -11.349 1.00 1.04 H new ATOM 0 HA2 GLY A 32 5.861 8.313 -10.957 1.00 1.53 H new ATOM 0 HA3 GLY A 32 4.967 7.562 -12.265 1.00 1.53 H new ATOM 432 N VAL A 33 3.389 7.002 -9.530 1.00 1.00 N ATOM 433 CA VAL A 33 2.129 7.197 -8.825 1.00 0.87 C ATOM 434 C VAL A 33 2.156 8.463 -7.981 1.00 0.88 C ATOM 435 O VAL A 33 1.133 9.130 -7.839 1.00 0.90 O ATOM 436 CB VAL A 33 1.770 5.958 -7.987 1.00 1.02 C ATOM 437 CG1 VAL A 33 1.637 4.730 -8.895 1.00 1.88 C ATOM 438 CG2 VAL A 33 2.799 5.653 -6.890 1.00 1.99 C ATOM 0 H VAL A 33 3.904 6.170 -9.242 1.00 1.00 H new ATOM 0 HA VAL A 33 1.344 7.327 -9.570 1.00 0.87 H new ATOM 0 HB VAL A 33 0.823 6.183 -7.497 1.00 1.02 H new ATOM 0 HG11 VAL A 33 1.383 3.858 -8.293 1.00 1.88 H new ATOM 0 HG12 VAL A 33 0.852 4.905 -9.630 1.00 1.88 H new ATOM 0 HG13 VAL A 33 2.582 4.553 -9.409 1.00 1.88 H new ATOM 0 HG21 VAL A 33 2.488 4.768 -6.335 1.00 1.99 H new ATOM 0 HG22 VAL A 33 3.773 5.472 -7.345 1.00 1.99 H new ATOM 0 HG23 VAL A 33 2.868 6.502 -6.210 1.00 1.99 H new ATOM 448 N CYS A 34 3.330 8.835 -7.463 1.00 0.99 N ATOM 449 CA CYS A 34 3.467 10.082 -6.733 1.00 1.23 C ATOM 450 C CYS A 34 3.096 11.279 -7.607 1.00 1.23 C ATOM 451 O CYS A 34 2.739 12.319 -7.071 1.00 1.30 O ATOM 452 CB CYS A 34 4.895 10.248 -6.197 1.00 1.55 C ATOM 453 SG CYS A 34 4.805 10.851 -4.489 1.00 2.90 S ATOM 0 H CYS A 34 4.189 8.290 -7.539 1.00 0.99 H new ATOM 0 HA CYS A 34 2.777 10.044 -5.890 1.00 1.23 H new ATOM 0 HB2 CYS A 34 5.426 9.297 -6.235 1.00 1.55 H new ATOM 0 HB3 CYS A 34 5.453 10.950 -6.817 1.00 1.55 H new ATOM 0 HG CYS A 34 4.769 12.150 -4.489 1.00 2.90 H new ATOM 459 N GLY A 35 3.197 11.155 -8.933 1.00 1.23 N ATOM 460 CA GLY A 35 2.960 12.242 -9.869 1.00 1.29 C ATOM 461 C GLY A 35 1.468 12.466 -10.080 1.00 1.08 C ATOM 462 O GLY A 35 0.995 13.600 -10.048 1.00 1.14 O ATOM 0 H GLY A 35 3.451 10.278 -9.388 1.00 1.23 H new ATOM 0 HA2 GLY A 35 3.419 13.157 -9.493 1.00 1.29 H new ATOM 0 HA3 GLY A 35 3.436 12.015 -10.823 1.00 1.29 H new ATOM 466 N ALA A 36 0.701 11.394 -10.283 1.00 0.90 N ATOM 467 CA ALA A 36 -0.746 11.522 -10.404 1.00 0.79 C ATOM 468 C ALA A 36 -1.310 12.015 -9.080 1.00 0.75 C ATOM 469 O ALA A 36 -2.094 12.965 -9.038 1.00 0.77 O ATOM 470 CB ALA A 36 -1.359 10.177 -10.805 1.00 0.74 C ATOM 0 H ALA A 36 1.054 10.441 -10.366 1.00 0.90 H new ATOM 0 HA ALA A 36 -0.995 12.244 -11.182 1.00 0.79 H new ATOM 0 HB1 ALA A 36 -2.440 10.282 -10.893 1.00 0.74 H new ATOM 0 HB2 ALA A 36 -0.946 9.860 -11.763 1.00 0.74 H new ATOM 0 HB3 ALA A 36 -1.128 9.431 -10.045 1.00 0.74 H new ATOM 476 N LEU A 37 -0.881 11.385 -7.987 1.00 0.74 N ATOM 477 CA LEU A 37 -1.337 11.776 -6.673 1.00 0.76 C ATOM 478 C LEU A 37 -0.924 13.206 -6.356 1.00 0.86 C ATOM 479 O LEU A 37 -1.677 13.912 -5.713 1.00 0.97 O ATOM 480 CB LEU A 37 -0.830 10.787 -5.621 1.00 0.85 C ATOM 481 CG LEU A 37 -1.580 10.949 -4.288 1.00 0.96 C ATOM 482 CD1 LEU A 37 -3.007 10.392 -4.376 1.00 1.07 C ATOM 483 CD2 LEU A 37 -0.851 10.135 -3.223 1.00 0.97 C ATOM 0 H LEU A 37 -0.222 10.607 -7.995 1.00 0.74 H new ATOM 0 HA LEU A 37 -2.427 11.749 -6.657 1.00 0.76 H new ATOM 0 HB2 LEU A 37 -0.954 9.768 -5.988 1.00 0.85 H new ATOM 0 HB3 LEU A 37 0.237 10.940 -5.460 1.00 0.85 H new ATOM 0 HG LEU A 37 -1.618 12.012 -4.048 1.00 0.96 H new ATOM 0 HD11 LEU A 37 -3.508 10.523 -3.417 1.00 1.07 H new ATOM 0 HD12 LEU A 37 -3.559 10.926 -5.150 1.00 1.07 H new ATOM 0 HD13 LEU A 37 -2.969 9.331 -4.624 1.00 1.07 H new ATOM 0 HD21 LEU A 37 -1.369 10.237 -2.269 1.00 0.97 H new ATOM 0 HD22 LEU A 37 -0.834 9.085 -3.516 1.00 0.97 H new ATOM 0 HD23 LEU A 37 0.171 10.500 -3.122 1.00 0.97 H new ATOM 495 N TYR A 38 0.220 13.677 -6.836 1.00 0.89 N ATOM 496 CA TYR A 38 0.609 15.077 -6.728 1.00 1.01 C ATOM 497 C TYR A 38 -0.311 15.979 -7.541 1.00 1.06 C ATOM 498 O TYR A 38 -0.621 17.087 -7.117 1.00 1.17 O ATOM 499 CB TYR A 38 2.048 15.197 -7.222 1.00 1.08 C ATOM 500 CG TYR A 38 2.585 16.572 -7.567 1.00 1.28 C ATOM 501 CD1 TYR A 38 2.617 17.597 -6.605 1.00 2.42 C ATOM 502 CD2 TYR A 38 3.107 16.803 -8.854 1.00 1.82 C ATOM 503 CE1 TYR A 38 3.155 18.856 -6.928 1.00 2.70 C ATOM 504 CE2 TYR A 38 3.657 18.054 -9.182 1.00 2.21 C ATOM 505 CZ TYR A 38 3.679 19.087 -8.221 1.00 2.15 C ATOM 506 OH TYR A 38 4.214 20.295 -8.554 1.00 2.66 O ATOM 0 H TYR A 38 0.908 13.095 -7.314 1.00 0.89 H new ATOM 0 HA TYR A 38 0.529 15.400 -5.690 1.00 1.01 H new ATOM 0 HB2 TYR A 38 2.697 14.771 -6.457 1.00 1.08 H new ATOM 0 HB3 TYR A 38 2.147 14.571 -8.109 1.00 1.08 H new ATOM 0 HD1 TYR A 38 2.227 17.417 -5.614 1.00 2.42 H new ATOM 0 HD2 TYR A 38 3.085 16.015 -9.593 1.00 1.82 H new ATOM 0 HE1 TYR A 38 3.168 19.644 -6.190 1.00 2.70 H new ATOM 0 HE2 TYR A 38 4.062 18.225 -10.168 1.00 2.21 H new ATOM 0 HH TYR A 38 4.525 20.270 -9.483 1.00 2.66 H new ATOM 516 N LYS A 39 -0.741 15.548 -8.729 1.00 1.02 N ATOM 517 CA LYS A 39 -1.436 16.440 -9.639 1.00 1.12 C ATOM 518 C LYS A 39 -2.843 16.704 -9.125 1.00 1.13 C ATOM 519 O LYS A 39 -3.406 17.766 -9.375 1.00 1.28 O ATOM 520 CB LYS A 39 -1.407 15.842 -11.049 1.00 1.13 C ATOM 521 CG LYS A 39 -2.090 16.786 -12.040 1.00 1.41 C ATOM 522 CD LYS A 39 -1.537 16.604 -13.455 1.00 1.59 C ATOM 523 CE LYS A 39 -2.279 17.548 -14.407 1.00 2.01 C ATOM 524 NZ LYS A 39 -1.568 17.708 -15.695 1.00 2.53 N ATOM 0 H LYS A 39 -0.619 14.596 -9.074 1.00 1.02 H new ATOM 0 HA LYS A 39 -0.938 17.408 -9.691 1.00 1.12 H new ATOM 0 HB2 LYS A 39 -0.376 15.666 -11.356 1.00 1.13 H new ATOM 0 HB3 LYS A 39 -1.910 14.875 -11.052 1.00 1.13 H new ATOM 0 HG2 LYS A 39 -3.164 16.600 -12.041 1.00 1.41 H new ATOM 0 HG3 LYS A 39 -1.945 17.818 -11.721 1.00 1.41 H new ATOM 0 HD2 LYS A 39 -0.468 16.817 -13.472 1.00 1.59 H new ATOM 0 HD3 LYS A 39 -1.661 15.570 -13.778 1.00 1.59 H new ATOM 0 HE2 LYS A 39 -3.281 17.162 -14.592 1.00 2.01 H new ATOM 0 HE3 LYS A 39 -2.395 18.523 -13.933 1.00 2.01 H new ATOM 0 HZ1 LYS A 39 -2.104 18.354 -16.309 1.00 2.53 H new ATOM 0 HZ2 LYS A 39 -0.621 18.100 -15.522 1.00 2.53 H new ATOM 0 HZ3 LYS A 39 -1.480 16.782 -16.160 1.00 2.53 H new ATOM 538 N LYS A 40 -3.423 15.732 -8.422 1.00 1.00 N ATOM 539 CA LYS A 40 -4.761 15.869 -7.862 1.00 1.01 C ATOM 540 C LYS A 40 -4.734 16.177 -6.367 1.00 1.08 C ATOM 541 O LYS A 40 -5.619 16.854 -5.854 1.00 1.22 O ATOM 542 CB LYS A 40 -5.514 14.578 -8.155 1.00 0.90 C ATOM 543 CG LYS A 40 -7.012 14.718 -7.841 1.00 0.99 C ATOM 544 CD LYS A 40 -7.889 14.428 -9.057 1.00 1.08 C ATOM 545 CE LYS A 40 -7.571 15.444 -10.157 1.00 1.31 C ATOM 546 NZ LYS A 40 -8.622 15.463 -11.197 1.00 1.65 N ATOM 0 H LYS A 40 -2.980 14.834 -8.227 1.00 1.00 H new ATOM 0 HA LYS A 40 -5.267 16.717 -8.323 1.00 1.01 H new ATOM 0 HB2 LYS A 40 -5.384 14.309 -9.203 1.00 0.90 H new ATOM 0 HB3 LYS A 40 -5.091 13.766 -7.563 1.00 0.90 H new ATOM 0 HG2 LYS A 40 -7.277 14.035 -7.034 1.00 0.99 H new ATOM 0 HG3 LYS A 40 -7.213 15.728 -7.483 1.00 0.99 H new ATOM 0 HD2 LYS A 40 -7.709 13.415 -9.417 1.00 1.08 H new ATOM 0 HD3 LYS A 40 -8.943 14.487 -8.784 1.00 1.08 H new ATOM 0 HE2 LYS A 40 -7.473 16.437 -9.719 1.00 1.31 H new ATOM 0 HE3 LYS A 40 -6.611 15.200 -10.613 1.00 1.31 H new ATOM 0 HZ1 LYS A 40 -8.376 16.162 -11.927 1.00 1.65 H new ATOM 0 HZ2 LYS A 40 -8.698 14.521 -11.631 1.00 1.65 H new ATOM 0 HZ3 LYS A 40 -9.533 15.720 -10.765 1.00 1.65 H new ATOM 560 N PHE A 41 -3.723 15.675 -5.668 1.00 1.05 N ATOM 561 CA PHE A 41 -3.572 15.791 -4.221 1.00 1.26 C ATOM 562 C PHE A 41 -2.144 16.240 -3.901 1.00 1.02 C ATOM 563 O PHE A 41 -1.410 15.525 -3.218 1.00 0.96 O ATOM 564 CB PHE A 41 -3.871 14.462 -3.489 1.00 1.47 C ATOM 565 CG PHE A 41 -5.119 13.703 -3.882 1.00 1.06 C ATOM 566 CD1 PHE A 41 -5.121 12.987 -5.087 1.00 0.92 C ATOM 567 CD2 PHE A 41 -6.229 13.614 -3.023 1.00 1.77 C ATOM 568 CE1 PHE A 41 -6.237 12.226 -5.462 1.00 0.90 C ATOM 569 CE2 PHE A 41 -7.350 12.846 -3.396 1.00 2.29 C ATOM 570 CZ PHE A 41 -7.356 12.155 -4.619 1.00 1.79 C ATOM 0 H PHE A 41 -2.960 15.159 -6.106 1.00 1.05 H new ATOM 0 HA PHE A 41 -4.296 16.526 -3.869 1.00 1.26 H new ATOM 0 HB2 PHE A 41 -3.017 13.800 -3.635 1.00 1.47 H new ATOM 0 HB3 PHE A 41 -3.931 14.674 -2.422 1.00 1.47 H new ATOM 0 HD1 PHE A 41 -4.255 13.022 -5.732 1.00 0.92 H new ATOM 0 HD2 PHE A 41 -6.222 14.135 -2.077 1.00 1.77 H new ATOM 0 HE1 PHE A 41 -6.235 11.693 -6.402 1.00 0.90 H new ATOM 0 HE2 PHE A 41 -8.206 12.789 -2.740 1.00 2.29 H new ATOM 0 HZ PHE A 41 -8.218 11.572 -4.909 1.00 1.79 H new ATOM 580 N PRO A 42 -1.737 17.452 -4.293 1.00 1.11 N ATOM 581 CA PRO A 42 -0.385 17.933 -4.038 1.00 1.09 C ATOM 582 C PRO A 42 -0.076 18.030 -2.541 1.00 0.99 C ATOM 583 O PRO A 42 1.081 18.096 -2.146 1.00 1.03 O ATOM 584 CB PRO A 42 -0.288 19.289 -4.744 1.00 1.49 C ATOM 585 CG PRO A 42 -1.742 19.750 -4.851 1.00 1.68 C ATOM 586 CD PRO A 42 -2.526 18.447 -4.995 1.00 1.42 C ATOM 0 HA PRO A 42 0.361 17.237 -4.422 1.00 1.09 H new ATOM 0 HB2 PRO A 42 0.314 19.995 -4.173 1.00 1.49 H new ATOM 0 HB3 PRO A 42 0.175 19.196 -5.726 1.00 1.49 H new ATOM 0 HG2 PRO A 42 -2.051 20.308 -3.967 1.00 1.68 H new ATOM 0 HG3 PRO A 42 -1.892 20.405 -5.709 1.00 1.68 H new ATOM 0 HD2 PRO A 42 -3.523 18.537 -4.563 1.00 1.42 H new ATOM 0 HD3 PRO A 42 -2.656 18.179 -6.043 1.00 1.42 H new ATOM 594 N GLU A 43 -1.103 17.996 -1.695 1.00 1.01 N ATOM 595 CA GLU A 43 -0.978 18.088 -0.253 1.00 1.08 C ATOM 596 C GLU A 43 -0.401 16.796 0.328 1.00 0.94 C ATOM 597 O GLU A 43 0.219 16.810 1.386 1.00 1.06 O ATOM 598 CB GLU A 43 -2.375 18.353 0.305 1.00 1.31 C ATOM 599 CG GLU A 43 -2.750 19.830 0.180 1.00 1.59 C ATOM 600 CD GLU A 43 -2.147 20.627 1.337 1.00 2.85 C ATOM 601 OE1 GLU A 43 -1.202 21.397 1.078 1.00 3.44 O ATOM 602 OE2 GLU A 43 -2.642 20.417 2.468 1.00 4.37 O ATOM 0 H GLU A 43 -2.069 17.901 -2.008 1.00 1.01 H new ATOM 0 HA GLU A 43 -0.295 18.893 0.020 1.00 1.08 H new ATOM 0 HB2 GLU A 43 -3.104 17.744 -0.229 1.00 1.31 H new ATOM 0 HB3 GLU A 43 -2.414 18.053 1.352 1.00 1.31 H new ATOM 0 HG2 GLU A 43 -2.390 20.225 -0.770 1.00 1.59 H new ATOM 0 HG3 GLU A 43 -3.835 19.939 0.180 1.00 1.59 H new ATOM 609 N SER A 44 -0.604 15.663 -0.349 1.00 0.90 N ATOM 610 CA SER A 44 -0.029 14.396 0.081 1.00 0.88 C ATOM 611 C SER A 44 1.432 14.260 -0.352 1.00 0.89 C ATOM 612 O SER A 44 2.090 13.282 -0.004 1.00 1.09 O ATOM 613 CB SER A 44 -0.877 13.242 -0.456 1.00 1.04 C ATOM 614 OG SER A 44 -0.738 13.068 -1.851 1.00 1.92 O ATOM 0 H SER A 44 -1.165 15.602 -1.199 1.00 0.90 H new ATOM 0 HA SER A 44 -0.036 14.365 1.171 1.00 0.88 H new ATOM 0 HB2 SER A 44 -0.592 12.320 0.051 1.00 1.04 H new ATOM 0 HB3 SER A 44 -1.925 13.426 -0.219 1.00 1.04 H new ATOM 0 HG SER A 44 -0.968 13.903 -2.309 1.00 1.92 H new ATOM 620 N PHE A 45 1.965 15.236 -1.096 1.00 1.03 N ATOM 621 CA PHE A 45 3.326 15.254 -1.599 1.00 1.25 C ATOM 622 C PHE A 45 4.248 15.798 -0.505 1.00 1.24 C ATOM 623 O PHE A 45 5.056 16.691 -0.738 1.00 1.69 O ATOM 624 CB PHE A 45 3.315 16.123 -2.870 1.00 2.03 C ATOM 625 CG PHE A 45 4.339 15.792 -3.932 1.00 2.23 C ATOM 626 CD1 PHE A 45 4.339 14.516 -4.519 1.00 2.44 C ATOM 627 CD2 PHE A 45 5.196 16.790 -4.429 1.00 3.43 C ATOM 628 CE1 PHE A 45 5.191 14.237 -5.602 1.00 3.58 C ATOM 629 CE2 PHE A 45 6.046 16.512 -5.514 1.00 4.17 C ATOM 630 CZ PHE A 45 6.043 15.236 -6.102 1.00 4.18 C ATOM 0 H PHE A 45 1.433 16.062 -1.370 1.00 1.03 H new ATOM 0 HA PHE A 45 3.700 14.263 -1.857 1.00 1.25 H new ATOM 0 HB2 PHE A 45 2.325 16.054 -3.320 1.00 2.03 H new ATOM 0 HB3 PHE A 45 3.458 17.162 -2.572 1.00 2.03 H new ATOM 0 HD1 PHE A 45 3.683 13.747 -4.138 1.00 2.44 H new ATOM 0 HD2 PHE A 45 5.201 17.771 -3.977 1.00 3.43 H new ATOM 0 HE1 PHE A 45 5.191 13.254 -6.050 1.00 3.58 H new ATOM 0 HE2 PHE A 45 6.702 17.280 -5.896 1.00 4.17 H new ATOM 0 HZ PHE A 45 6.694 15.023 -6.937 1.00 4.18 H new ATOM 640 N ASP A 46 4.114 15.237 0.698 1.00 1.15 N ATOM 641 CA ASP A 46 4.950 15.492 1.853 1.00 1.60 C ATOM 642 C ASP A 46 6.295 14.833 1.575 1.00 1.55 C ATOM 643 O ASP A 46 7.351 15.433 1.742 1.00 2.28 O ATOM 644 CB ASP A 46 4.241 14.871 3.068 1.00 2.00 C ATOM 645 CG ASP A 46 4.803 15.340 4.405 1.00 2.75 C ATOM 646 OD1 ASP A 46 3.978 15.618 5.303 1.00 3.80 O ATOM 647 OD2 ASP A 46 6.044 15.378 4.521 1.00 3.26 O ATOM 0 H ASP A 46 3.378 14.558 0.894 1.00 1.15 H new ATOM 0 HA ASP A 46 5.113 16.551 2.052 1.00 1.60 H new ATOM 0 HB2 ASP A 46 3.180 15.115 3.023 1.00 2.00 H new ATOM 0 HB3 ASP A 46 4.321 13.786 3.010 1.00 2.00 H new ATOM 652 N LEU A 47 6.223 13.591 1.069 1.00 1.18 N ATOM 653 CA LEU A 47 7.347 12.740 0.686 1.00 1.31 C ATOM 654 C LEU A 47 8.530 12.874 1.647 1.00 1.20 C ATOM 655 O LEU A 47 9.694 12.897 1.253 1.00 1.34 O ATOM 656 CB LEU A 47 7.677 12.859 -0.815 1.00 1.50 C ATOM 657 CG LEU A 47 7.646 14.269 -1.424 1.00 1.34 C ATOM 658 CD1 LEU A 47 8.925 15.064 -1.175 1.00 1.73 C ATOM 659 CD2 LEU A 47 7.417 14.135 -2.928 1.00 1.72 C ATOM 0 H LEU A 47 5.325 13.134 0.910 1.00 1.18 H new ATOM 0 HA LEU A 47 7.044 11.700 0.802 1.00 1.31 H new ATOM 0 HB2 LEU A 47 8.670 12.441 -0.978 1.00 1.50 H new ATOM 0 HB3 LEU A 47 6.974 12.235 -1.367 1.00 1.50 H new ATOM 0 HG LEU A 47 6.840 14.821 -0.940 1.00 1.34 H new ATOM 0 HD11 LEU A 47 8.835 16.050 -1.632 1.00 1.73 H new ATOM 0 HD12 LEU A 47 9.082 15.174 -0.102 1.00 1.73 H new ATOM 0 HD13 LEU A 47 9.772 14.537 -1.613 1.00 1.73 H new ATOM 0 HD21 LEU A 47 7.391 15.126 -3.382 1.00 1.72 H new ATOM 0 HD22 LEU A 47 8.227 13.555 -3.369 1.00 1.72 H new ATOM 0 HD23 LEU A 47 6.469 13.629 -3.108 1.00 1.72 H new ATOM 671 N GLN A 48 8.205 12.872 2.942 1.00 1.08 N ATOM 672 CA GLN A 48 9.207 12.948 3.994 1.00 1.03 C ATOM 673 C GLN A 48 9.933 11.606 4.103 1.00 0.99 C ATOM 674 O GLN A 48 9.364 10.569 3.760 1.00 0.99 O ATOM 675 CB GLN A 48 8.534 13.281 5.341 1.00 1.08 C ATOM 676 CG GLN A 48 7.498 12.235 5.798 1.00 3.10 C ATOM 677 CD GLN A 48 7.259 12.270 7.306 1.00 3.61 C ATOM 678 OE1 GLN A 48 6.161 12.527 7.784 1.00 3.73 O ATOM 679 NE2 GLN A 48 8.276 11.956 8.099 1.00 4.78 N ATOM 0 H GLN A 48 7.245 12.818 3.284 1.00 1.08 H new ATOM 0 HA GLN A 48 9.923 13.733 3.750 1.00 1.03 H new ATOM 0 HB2 GLN A 48 9.304 13.374 6.107 1.00 1.08 H new ATOM 0 HB3 GLN A 48 8.045 14.252 5.261 1.00 1.08 H new ATOM 0 HG2 GLN A 48 6.555 12.411 5.280 1.00 3.10 H new ATOM 0 HG3 GLN A 48 7.839 11.241 5.510 1.00 3.10 H new ATOM 0 HE21 GLN A 48 9.189 11.743 7.697 1.00 4.78 H new ATOM 0 HE22 GLN A 48 8.145 11.928 9.110 1.00 4.78 H new ATOM 688 N PRO A 49 11.158 11.580 4.644 1.00 1.03 N ATOM 689 CA PRO A 49 11.817 10.331 4.986 1.00 1.08 C ATOM 690 C PRO A 49 11.034 9.633 6.101 1.00 1.00 C ATOM 691 O PRO A 49 10.432 10.298 6.949 1.00 1.14 O ATOM 692 CB PRO A 49 13.227 10.734 5.429 1.00 1.19 C ATOM 693 CG PRO A 49 13.040 12.156 5.961 1.00 1.17 C ATOM 694 CD PRO A 49 11.957 12.725 5.045 1.00 1.09 C ATOM 0 HA PRO A 49 11.864 9.625 4.157 1.00 1.08 H new ATOM 0 HB2 PRO A 49 13.613 10.065 6.198 1.00 1.19 H new ATOM 0 HB3 PRO A 49 13.932 10.705 4.599 1.00 1.19 H new ATOM 0 HG2 PRO A 49 12.728 12.159 7.005 1.00 1.17 H new ATOM 0 HG3 PRO A 49 13.963 12.734 5.903 1.00 1.17 H new ATOM 0 HD2 PRO A 49 11.350 13.466 5.566 1.00 1.09 H new ATOM 0 HD3 PRO A 49 12.395 13.223 4.179 1.00 1.09 H new ATOM 702 N ILE A 50 11.054 8.299 6.114 1.00 0.87 N ATOM 703 CA ILE A 50 10.358 7.461 7.071 1.00 0.85 C ATOM 704 C ILE A 50 11.357 6.418 7.568 1.00 0.80 C ATOM 705 O ILE A 50 12.315 6.098 6.868 1.00 0.83 O ATOM 706 CB ILE A 50 9.192 6.736 6.376 1.00 1.00 C ATOM 707 CG1 ILE A 50 8.300 7.610 5.474 1.00 1.41 C ATOM 708 CG2 ILE A 50 8.323 6.059 7.428 1.00 0.81 C ATOM 709 CD1 ILE A 50 7.442 8.601 6.261 1.00 1.27 C ATOM 0 H ILE A 50 11.579 7.758 5.427 1.00 0.87 H new ATOM 0 HA ILE A 50 9.965 8.062 7.891 1.00 0.85 H new ATOM 0 HB ILE A 50 9.665 6.019 5.704 1.00 1.00 H new ATOM 0 HG12 ILE A 50 8.929 8.159 4.773 1.00 1.41 H new ATOM 0 HG13 ILE A 50 7.650 6.966 4.882 1.00 1.41 H new ATOM 0 HG21 ILE A 50 7.496 5.544 6.940 1.00 0.81 H new ATOM 0 HG22 ILE A 50 8.921 5.338 7.985 1.00 0.81 H new ATOM 0 HG23 ILE A 50 7.929 6.810 8.113 1.00 0.81 H new ATOM 0 HD11 ILE A 50 6.837 9.187 5.570 1.00 1.27 H new ATOM 0 HD12 ILE A 50 6.789 8.056 6.943 1.00 1.27 H new ATOM 0 HD13 ILE A 50 8.088 9.268 6.833 1.00 1.27 H new ATOM 721 N GLU A 51 11.134 5.842 8.742 1.00 0.78 N ATOM 722 CA GLU A 51 11.927 4.735 9.213 1.00 0.79 C ATOM 723 C GLU A 51 11.609 3.440 8.465 1.00 0.78 C ATOM 724 O GLU A 51 10.509 3.212 7.964 1.00 1.24 O ATOM 725 CB GLU A 51 11.618 4.503 10.681 1.00 0.86 C ATOM 726 CG GLU A 51 12.266 5.515 11.629 1.00 1.16 C ATOM 727 CD GLU A 51 11.288 6.638 12.012 1.00 1.94 C ATOM 728 OE1 GLU A 51 11.203 6.973 13.212 1.00 2.20 O ATOM 729 OE2 GLU A 51 10.541 7.135 11.134 1.00 3.33 O ATOM 0 H GLU A 51 10.399 6.134 9.386 1.00 0.78 H new ATOM 0 HA GLU A 51 12.975 4.987 9.049 1.00 0.79 H new ATOM 0 HB2 GLU A 51 10.537 4.531 10.822 1.00 0.86 H new ATOM 0 HB3 GLU A 51 11.949 3.502 10.956 1.00 0.86 H new ATOM 0 HG2 GLU A 51 12.606 5.005 12.530 1.00 1.16 H new ATOM 0 HG3 GLU A 51 13.148 5.946 11.155 1.00 1.16 H new ATOM 736 N VAL A 52 12.577 2.533 8.484 1.00 0.73 N ATOM 737 CA VAL A 52 12.482 1.219 7.890 1.00 0.69 C ATOM 738 C VAL A 52 11.597 0.352 8.776 1.00 0.55 C ATOM 739 O VAL A 52 12.030 -0.164 9.803 1.00 0.62 O ATOM 740 CB VAL A 52 13.886 0.616 7.671 1.00 0.86 C ATOM 741 CG1 VAL A 52 13.865 -0.380 6.509 1.00 1.02 C ATOM 742 CG2 VAL A 52 14.940 1.680 7.328 1.00 1.18 C ATOM 0 H VAL A 52 13.478 2.704 8.930 1.00 0.73 H new ATOM 0 HA VAL A 52 12.024 1.278 6.902 1.00 0.69 H new ATOM 0 HB VAL A 52 14.151 0.132 8.611 1.00 0.86 H new ATOM 0 HG11 VAL A 52 14.863 -0.796 6.368 1.00 1.02 H new ATOM 0 HG12 VAL A 52 13.165 -1.185 6.732 1.00 1.02 H new ATOM 0 HG13 VAL A 52 13.553 0.130 5.598 1.00 1.02 H new ATOM 0 HG21 VAL A 52 15.908 1.200 7.185 1.00 1.18 H new ATOM 0 HG22 VAL A 52 14.652 2.196 6.412 1.00 1.18 H new ATOM 0 HG23 VAL A 52 15.009 2.400 8.144 1.00 1.18 H new ATOM 752 N GLY A 53 10.335 0.259 8.376 1.00 0.49 N ATOM 753 CA GLY A 53 9.347 -0.616 8.986 1.00 0.56 C ATOM 754 C GLY A 53 8.183 0.176 9.558 1.00 0.56 C ATOM 755 O GLY A 53 7.176 -0.398 9.956 1.00 0.92 O ATOM 0 H GLY A 53 9.963 0.805 7.599 1.00 0.49 H new ATOM 0 HA2 GLY A 53 8.978 -1.324 8.244 1.00 0.56 H new ATOM 0 HA3 GLY A 53 9.816 -1.200 9.778 1.00 0.56 H new ATOM 759 N LYS A 54 8.284 1.504 9.610 1.00 0.38 N ATOM 760 CA LYS A 54 7.249 2.301 10.255 1.00 0.36 C ATOM 761 C LYS A 54 6.495 3.016 9.151 1.00 0.32 C ATOM 762 O LYS A 54 7.102 3.465 8.187 1.00 0.36 O ATOM 763 CB LYS A 54 7.874 3.268 11.269 1.00 0.48 C ATOM 764 CG LYS A 54 8.650 2.478 12.338 1.00 2.41 C ATOM 765 CD LYS A 54 9.406 3.346 13.352 1.00 3.15 C ATOM 766 CE LYS A 54 10.376 2.456 14.144 1.00 4.76 C ATOM 767 NZ LYS A 54 9.985 2.309 15.561 1.00 5.03 N ATOM 0 H LYS A 54 9.059 2.040 9.220 1.00 0.38 H new ATOM 0 HA LYS A 54 6.556 1.681 10.824 1.00 0.36 H new ATOM 0 HB2 LYS A 54 8.544 3.961 10.759 1.00 0.48 H new ATOM 0 HB3 LYS A 54 7.095 3.867 11.741 1.00 0.48 H new ATOM 0 HG2 LYS A 54 7.951 1.839 12.877 1.00 2.41 H new ATOM 0 HG3 LYS A 54 9.363 1.821 11.839 1.00 2.41 H new ATOM 0 HD2 LYS A 54 9.954 4.136 12.838 1.00 3.15 H new ATOM 0 HD3 LYS A 54 8.704 3.833 14.028 1.00 3.15 H new ATOM 0 HE2 LYS A 54 10.421 1.471 13.679 1.00 4.76 H new ATOM 0 HE3 LYS A 54 11.379 2.880 14.090 1.00 4.76 H new ATOM 0 HZ1 LYS A 54 10.672 1.700 16.049 1.00 5.03 H new ATOM 0 HZ2 LYS A 54 9.968 3.244 16.015 1.00 5.03 H new ATOM 0 HZ3 LYS A 54 9.040 1.879 15.617 1.00 5.03 H new ATOM 781 N ALA A 55 5.176 3.114 9.270 1.00 0.34 N ATOM 782 CA ALA A 55 4.384 3.907 8.338 1.00 0.32 C ATOM 783 C ALA A 55 4.019 5.228 9.006 1.00 0.33 C ATOM 784 O ALA A 55 3.822 5.265 10.221 1.00 0.38 O ATOM 785 CB ALA A 55 3.127 3.132 7.938 1.00 0.33 C ATOM 0 H ALA A 55 4.633 2.655 10.002 1.00 0.34 H new ATOM 0 HA ALA A 55 4.958 4.111 7.434 1.00 0.32 H new ATOM 0 HB1 ALA A 55 2.538 3.729 7.241 1.00 0.33 H new ATOM 0 HB2 ALA A 55 3.414 2.195 7.461 1.00 0.33 H new ATOM 0 HB3 ALA A 55 2.532 2.920 8.826 1.00 0.33 H new ATOM 791 N ARG A 56 3.884 6.309 8.230 1.00 0.32 N ATOM 792 CA ARG A 56 3.368 7.574 8.747 1.00 0.33 C ATOM 793 C ARG A 56 2.216 8.031 7.865 1.00 0.31 C ATOM 794 O ARG A 56 2.329 8.035 6.646 1.00 0.35 O ATOM 795 CB ARG A 56 4.466 8.646 8.810 1.00 0.49 C ATOM 796 CG ARG A 56 5.606 8.234 9.752 1.00 1.50 C ATOM 797 CD ARG A 56 6.657 9.345 9.880 1.00 1.93 C ATOM 798 NE ARG A 56 7.755 8.953 10.786 1.00 3.17 N ATOM 799 CZ ARG A 56 7.733 9.031 12.123 1.00 3.79 C ATOM 800 NH1 ARG A 56 8.781 8.626 12.838 1.00 4.94 N ATOM 801 NH2 ARG A 56 6.656 9.512 12.748 1.00 4.12 N ATOM 0 H ARG A 56 4.127 6.329 7.239 1.00 0.32 H new ATOM 0 HA ARG A 56 3.013 7.423 9.766 1.00 0.33 H new ATOM 0 HB2 ARG A 56 4.864 8.819 7.810 1.00 0.49 H new ATOM 0 HB3 ARG A 56 4.036 9.588 9.149 1.00 0.49 H new ATOM 0 HG2 ARG A 56 5.200 8.000 10.736 1.00 1.50 H new ATOM 0 HG3 ARG A 56 6.078 7.326 9.378 1.00 1.50 H new ATOM 0 HD2 ARG A 56 7.063 9.578 8.895 1.00 1.93 H new ATOM 0 HD3 ARG A 56 6.184 10.253 10.253 1.00 1.93 H new ATOM 0 HE ARG A 56 8.606 8.591 10.356 1.00 3.17 H new ATOM 0 HH11 ARG A 56 9.606 8.254 12.368 1.00 4.94 H new ATOM 0 HH12 ARG A 56 8.759 8.688 13.856 1.00 4.94 H new ATOM 0 HH21 ARG A 56 5.848 9.821 12.207 1.00 4.12 H new ATOM 0 HH22 ARG A 56 6.641 9.571 13.766 1.00 4.12 H new ATOM 815 N LEU A 57 1.092 8.391 8.476 1.00 0.37 N ATOM 816 CA LEU A 57 -0.028 9.003 7.784 1.00 0.46 C ATOM 817 C LEU A 57 0.307 10.451 7.440 1.00 0.54 C ATOM 818 O LEU A 57 0.857 11.170 8.271 1.00 0.70 O ATOM 819 CB LEU A 57 -1.331 8.887 8.596 1.00 0.60 C ATOM 820 CG LEU A 57 -1.284 9.419 10.041 1.00 0.94 C ATOM 821 CD1 LEU A 57 -2.619 10.082 10.391 1.00 1.77 C ATOM 822 CD2 LEU A 57 -1.053 8.281 11.046 1.00 1.55 C ATOM 0 H LEU A 57 0.935 8.263 9.476 1.00 0.37 H new ATOM 0 HA LEU A 57 -0.201 8.462 6.853 1.00 0.46 H new ATOM 0 HB2 LEU A 57 -2.117 9.420 8.060 1.00 0.60 H new ATOM 0 HB3 LEU A 57 -1.622 7.837 8.627 1.00 0.60 H new ATOM 0 HG LEU A 57 -0.462 10.133 10.101 1.00 0.94 H new ATOM 0 HD11 LEU A 57 -2.582 10.457 11.414 1.00 1.77 H new ATOM 0 HD12 LEU A 57 -2.804 10.910 9.707 1.00 1.77 H new ATOM 0 HD13 LEU A 57 -3.423 9.351 10.301 1.00 1.77 H new ATOM 0 HD21 LEU A 57 -1.025 8.688 12.057 1.00 1.55 H new ATOM 0 HD22 LEU A 57 -1.864 7.557 10.969 1.00 1.55 H new ATOM 0 HD23 LEU A 57 -0.106 7.789 10.827 1.00 1.55 H new ATOM 834 N VAL A 58 -0.051 10.887 6.232 1.00 0.57 N ATOM 835 CA VAL A 58 0.134 12.246 5.768 1.00 0.68 C ATOM 836 C VAL A 58 -1.261 12.833 5.536 1.00 0.74 C ATOM 837 O VAL A 58 -1.913 12.612 4.515 1.00 0.77 O ATOM 838 CB VAL A 58 1.092 12.278 4.558 1.00 0.79 C ATOM 839 CG1 VAL A 58 2.427 11.628 4.942 1.00 1.51 C ATOM 840 CG2 VAL A 58 0.589 11.568 3.294 1.00 0.93 C ATOM 0 H VAL A 58 -0.489 10.282 5.537 1.00 0.57 H new ATOM 0 HA VAL A 58 0.632 12.882 6.500 1.00 0.68 H new ATOM 0 HB VAL A 58 1.183 13.336 4.312 1.00 0.79 H new ATOM 0 HG11 VAL A 58 3.102 11.651 4.087 1.00 1.51 H new ATOM 0 HG12 VAL A 58 2.873 12.176 5.772 1.00 1.51 H new ATOM 0 HG13 VAL A 58 2.256 10.594 5.241 1.00 1.51 H new ATOM 0 HG21 VAL A 58 1.339 11.651 2.507 1.00 0.93 H new ATOM 0 HG22 VAL A 58 0.410 10.516 3.515 1.00 0.93 H new ATOM 0 HG23 VAL A 58 -0.340 12.032 2.961 1.00 0.93 H new ATOM 850 N LYS A 59 -1.780 13.534 6.544 1.00 1.33 N ATOM 851 CA LYS A 59 -3.059 14.221 6.422 1.00 1.42 C ATOM 852 C LYS A 59 -2.845 15.510 5.639 1.00 1.21 C ATOM 853 O LYS A 59 -2.253 16.447 6.174 1.00 1.68 O ATOM 854 CB LYS A 59 -3.687 14.496 7.798 1.00 2.21 C ATOM 855 CG LYS A 59 -2.703 15.008 8.868 1.00 2.25 C ATOM 856 CD LYS A 59 -3.293 16.158 9.695 1.00 2.62 C ATOM 857 CE LYS A 59 -3.361 17.476 8.909 1.00 3.60 C ATOM 858 NZ LYS A 59 -2.024 17.966 8.501 1.00 4.36 N ATOM 0 H LYS A 59 -1.331 13.639 7.454 1.00 1.33 H new ATOM 0 HA LYS A 59 -3.762 13.583 5.886 1.00 1.42 H new ATOM 0 HB2 LYS A 59 -4.484 15.229 7.678 1.00 2.21 H new ATOM 0 HB3 LYS A 59 -4.150 13.578 8.160 1.00 2.21 H new ATOM 0 HG2 LYS A 59 -2.432 14.187 9.532 1.00 2.25 H new ATOM 0 HG3 LYS A 59 -1.786 15.344 8.385 1.00 2.25 H new ATOM 0 HD2 LYS A 59 -4.295 15.885 10.027 1.00 2.62 H new ATOM 0 HD3 LYS A 59 -2.689 16.304 10.590 1.00 2.62 H new ATOM 0 HE2 LYS A 59 -3.978 17.334 8.022 1.00 3.60 H new ATOM 0 HE3 LYS A 59 -3.851 18.234 9.520 1.00 3.60 H new ATOM 0 HZ1 LYS A 59 -2.044 19.003 8.418 1.00 4.36 H new ATOM 0 HZ2 LYS A 59 -1.320 17.689 9.215 1.00 4.36 H new ATOM 0 HZ3 LYS A 59 -1.767 17.551 7.583 1.00 4.36 H new ATOM 872 N GLY A 60 -3.341 15.579 4.404 1.00 0.88 N ATOM 873 CA GLY A 60 -3.261 16.755 3.571 1.00 1.07 C ATOM 874 C GLY A 60 -4.676 17.246 3.300 1.00 0.83 C ATOM 875 O GLY A 60 -5.637 16.486 3.414 1.00 0.80 O ATOM 0 H GLY A 60 -3.818 14.797 3.955 1.00 0.88 H new ATOM 0 HA2 GLY A 60 -2.678 17.532 4.066 1.00 1.07 H new ATOM 0 HA3 GLY A 60 -2.754 16.523 2.635 1.00 1.07 H new ATOM 879 N ALA A 61 -4.809 18.522 2.950 1.00 0.93 N ATOM 880 CA ALA A 61 -6.101 19.174 2.780 1.00 1.01 C ATOM 881 C ALA A 61 -6.931 18.509 1.685 1.00 0.89 C ATOM 882 O ALA A 61 -8.149 18.419 1.800 1.00 1.02 O ATOM 883 CB ALA A 61 -5.908 20.666 2.487 1.00 1.21 C ATOM 0 H ALA A 61 -4.015 19.137 2.775 1.00 0.93 H new ATOM 0 HA ALA A 61 -6.654 19.067 3.713 1.00 1.01 H new ATOM 0 HB1 ALA A 61 -6.881 21.141 2.362 1.00 1.21 H new ATOM 0 HB2 ALA A 61 -5.379 21.134 3.317 1.00 1.21 H new ATOM 0 HB3 ALA A 61 -5.326 20.785 1.573 1.00 1.21 H new ATOM 889 N ALA A 62 -6.275 18.049 0.617 1.00 0.76 N ATOM 890 CA ALA A 62 -6.962 17.387 -0.482 1.00 0.79 C ATOM 891 C ALA A 62 -7.602 16.088 0.012 1.00 0.79 C ATOM 892 O ALA A 62 -8.785 15.849 -0.219 1.00 0.90 O ATOM 893 CB ALA A 62 -5.979 17.122 -1.629 1.00 0.80 C ATOM 0 H ALA A 62 -5.265 18.126 0.495 1.00 0.76 H new ATOM 0 HA ALA A 62 -7.754 18.034 -0.859 1.00 0.79 H new ATOM 0 HB1 ALA A 62 -6.500 16.626 -2.448 1.00 0.80 H new ATOM 0 HB2 ALA A 62 -5.567 18.068 -1.981 1.00 0.80 H new ATOM 0 HB3 ALA A 62 -5.170 16.483 -1.275 1.00 0.80 H new ATOM 899 N LYS A 63 -6.819 15.228 0.671 1.00 0.71 N ATOM 900 CA LYS A 63 -7.325 14.021 1.308 1.00 0.71 C ATOM 901 C LYS A 63 -6.261 13.505 2.274 1.00 0.62 C ATOM 902 O LYS A 63 -5.104 13.922 2.210 1.00 0.55 O ATOM 903 CB LYS A 63 -7.698 12.977 0.229 1.00 0.81 C ATOM 904 CG LYS A 63 -8.692 11.907 0.696 1.00 1.42 C ATOM 905 CD LYS A 63 -10.082 12.506 0.965 1.00 2.02 C ATOM 906 CE LYS A 63 -10.720 11.799 2.162 1.00 3.04 C ATOM 907 NZ LYS A 63 -11.961 12.464 2.609 1.00 3.61 N ATOM 0 H LYS A 63 -5.812 15.356 0.775 1.00 0.71 H new ATOM 0 HA LYS A 63 -8.232 14.228 1.875 1.00 0.71 H new ATOM 0 HB2 LYS A 63 -8.121 13.497 -0.631 1.00 0.81 H new ATOM 0 HB3 LYS A 63 -6.787 12.485 -0.112 1.00 0.81 H new ATOM 0 HG2 LYS A 63 -8.771 11.128 -0.062 1.00 1.42 H new ATOM 0 HG3 LYS A 63 -8.318 11.433 1.603 1.00 1.42 H new ATOM 0 HD2 LYS A 63 -9.997 13.574 1.163 1.00 2.02 H new ATOM 0 HD3 LYS A 63 -10.714 12.395 0.084 1.00 2.02 H new ATOM 0 HE2 LYS A 63 -10.940 10.765 1.896 1.00 3.04 H new ATOM 0 HE3 LYS A 63 -10.008 11.771 2.987 1.00 3.04 H new ATOM 0 HZ1 LYS A 63 -12.357 11.950 3.422 1.00 3.61 H new ATOM 0 HZ2 LYS A 63 -11.749 13.443 2.889 1.00 3.61 H new ATOM 0 HZ3 LYS A 63 -12.652 12.468 1.832 1.00 3.61 H new ATOM 921 N HIS A 64 -6.636 12.596 3.172 1.00 0.74 N ATOM 922 CA HIS A 64 -5.684 11.918 4.033 1.00 0.67 C ATOM 923 C HIS A 64 -5.128 10.708 3.289 1.00 0.63 C ATOM 924 O HIS A 64 -5.881 9.958 2.666 1.00 0.70 O ATOM 925 CB HIS A 64 -6.375 11.466 5.322 1.00 0.68 C ATOM 926 CG HIS A 64 -6.971 12.578 6.153 1.00 0.84 C ATOM 927 ND1 HIS A 64 -7.734 12.392 7.285 1.00 1.07 N ATOM 928 CD2 HIS A 64 -6.866 13.928 5.941 1.00 0.90 C ATOM 929 CE1 HIS A 64 -8.082 13.607 7.741 1.00 1.23 C ATOM 930 NE2 HIS A 64 -7.573 14.572 6.959 1.00 1.11 N ATOM 0 H HIS A 64 -7.605 12.314 3.319 1.00 0.74 H new ATOM 0 HA HIS A 64 -4.872 12.597 4.294 1.00 0.67 H new ATOM 0 HB2 HIS A 64 -7.166 10.762 5.064 1.00 0.68 H new ATOM 0 HB3 HIS A 64 -5.653 10.924 5.933 1.00 0.68 H new ATOM 0 HD2 HIS A 64 -6.333 14.407 5.133 1.00 0.90 H new ATOM 0 HE1 HIS A 64 -8.688 13.783 8.617 1.00 1.23 H new ATOM 0 HE2 HIS A 64 -7.681 15.579 7.084 1.00 1.11 H new ATOM 938 N ILE A 65 -3.815 10.513 3.368 1.00 0.57 N ATOM 939 CA ILE A 65 -3.104 9.417 2.731 1.00 0.54 C ATOM 940 C ILE A 65 -2.238 8.767 3.803 1.00 0.48 C ATOM 941 O ILE A 65 -2.037 9.345 4.869 1.00 0.55 O ATOM 942 CB ILE A 65 -2.327 9.967 1.514 1.00 0.54 C ATOM 943 CG1 ILE A 65 -3.287 10.304 0.358 1.00 0.72 C ATOM 944 CG2 ILE A 65 -1.276 9.018 0.936 1.00 0.59 C ATOM 945 CD1 ILE A 65 -3.870 11.708 0.439 1.00 0.83 C ATOM 0 H ILE A 65 -3.201 11.134 3.894 1.00 0.57 H new ATOM 0 HA ILE A 65 -3.761 8.645 2.331 1.00 0.54 H new ATOM 0 HB ILE A 65 -1.818 10.846 1.909 1.00 0.54 H new ATOM 0 HG12 ILE A 65 -2.756 10.194 -0.588 1.00 0.72 H new ATOM 0 HG13 ILE A 65 -4.103 9.581 0.352 1.00 0.72 H new ATOM 0 HG21 ILE A 65 -0.785 9.493 0.087 1.00 0.59 H new ATOM 0 HG22 ILE A 65 -0.535 8.787 1.701 1.00 0.59 H new ATOM 0 HG23 ILE A 65 -1.758 8.097 0.608 1.00 0.59 H new ATOM 0 HD11 ILE A 65 -4.536 11.875 -0.407 1.00 0.83 H new ATOM 0 HD12 ILE A 65 -4.429 11.817 1.368 1.00 0.83 H new ATOM 0 HD13 ILE A 65 -3.062 12.439 0.414 1.00 0.83 H new ATOM 957 N ILE A 66 -1.734 7.562 3.548 1.00 0.46 N ATOM 958 CA ILE A 66 -0.870 6.825 4.452 1.00 0.44 C ATOM 959 C ILE A 66 0.386 6.493 3.660 1.00 0.43 C ATOM 960 O ILE A 66 0.283 6.187 2.473 1.00 0.46 O ATOM 961 CB ILE A 66 -1.564 5.552 4.971 1.00 0.50 C ATOM 962 CG1 ILE A 66 -3.048 5.739 5.349 1.00 0.56 C ATOM 963 CG2 ILE A 66 -0.792 4.958 6.157 1.00 0.48 C ATOM 964 CD1 ILE A 66 -3.275 6.627 6.575 1.00 0.56 C ATOM 0 H ILE A 66 -1.924 7.061 2.680 1.00 0.46 H new ATOM 0 HA ILE A 66 -0.628 7.414 5.337 1.00 0.44 H new ATOM 0 HB ILE A 66 -1.554 4.859 4.130 1.00 0.50 H new ATOM 0 HG12 ILE A 66 -3.577 6.170 4.499 1.00 0.56 H new ATOM 0 HG13 ILE A 66 -3.490 4.760 5.536 1.00 0.56 H new ATOM 0 HG21 ILE A 66 -1.299 4.060 6.508 1.00 0.48 H new ATOM 0 HG22 ILE A 66 0.220 4.703 5.842 1.00 0.48 H new ATOM 0 HG23 ILE A 66 -0.747 5.689 6.965 1.00 0.48 H new ATOM 0 HD11 ILE A 66 -4.344 6.707 6.773 1.00 0.56 H new ATOM 0 HD12 ILE A 66 -2.778 6.188 7.440 1.00 0.56 H new ATOM 0 HD13 ILE A 66 -2.865 7.619 6.386 1.00 0.56 H new ATOM 976 N HIS A 67 1.561 6.551 4.288 1.00 0.43 N ATOM 977 CA HIS A 67 2.829 6.309 3.610 1.00 0.45 C ATOM 978 C HIS A 67 3.516 5.126 4.284 1.00 0.45 C ATOM 979 O HIS A 67 3.790 5.171 5.484 1.00 0.57 O ATOM 980 CB HIS A 67 3.693 7.583 3.636 1.00 0.57 C ATOM 981 CG HIS A 67 3.698 8.367 2.344 1.00 0.98 C ATOM 982 ND1 HIS A 67 4.727 9.168 1.896 1.00 1.75 N ATOM 983 CD2 HIS A 67 2.723 8.373 1.380 1.00 1.55 C ATOM 984 CE1 HIS A 67 4.380 9.632 0.684 1.00 2.28 C ATOM 985 NE2 HIS A 67 3.168 9.176 0.326 1.00 2.22 N ATOM 0 H HIS A 67 1.657 6.767 5.280 1.00 0.43 H new ATOM 0 HA HIS A 67 2.668 6.062 2.561 1.00 0.45 H new ATOM 0 HB2 HIS A 67 3.337 8.231 4.437 1.00 0.57 H new ATOM 0 HB3 HIS A 67 4.718 7.306 3.881 1.00 0.57 H new ATOM 0 HD2 HIS A 67 1.779 7.850 1.427 1.00 1.55 H new ATOM 0 HE1 HIS A 67 4.993 10.284 0.079 1.00 2.28 H new ATOM 0 HE2 HIS A 67 2.671 9.376 -0.542 1.00 2.22 H new ATOM 993 N ALA A 68 3.772 4.062 3.518 1.00 0.41 N ATOM 994 CA ALA A 68 4.264 2.790 4.030 1.00 0.45 C ATOM 995 C ALA A 68 5.671 2.504 3.508 1.00 0.45 C ATOM 996 O ALA A 68 6.052 2.974 2.434 1.00 0.47 O ATOM 997 CB ALA A 68 3.311 1.674 3.591 1.00 0.54 C ATOM 0 H ALA A 68 3.639 4.066 2.507 1.00 0.41 H new ATOM 0 HA ALA A 68 4.307 2.837 5.118 1.00 0.45 H new ATOM 0 HB1 ALA A 68 3.672 0.718 3.970 1.00 0.54 H new ATOM 0 HB2 ALA A 68 2.315 1.869 3.988 1.00 0.54 H new ATOM 0 HB3 ALA A 68 3.268 1.640 2.502 1.00 0.54 H new ATOM 1003 N VAL A 69 6.440 1.691 4.234 1.00 0.63 N ATOM 1004 CA VAL A 69 7.786 1.335 3.870 1.00 0.68 C ATOM 1005 C VAL A 69 7.812 -0.158 3.577 1.00 0.75 C ATOM 1006 O VAL A 69 7.849 -0.967 4.496 1.00 0.91 O ATOM 1007 CB VAL A 69 8.706 1.761 5.024 1.00 0.68 C ATOM 1008 CG1 VAL A 69 10.112 1.223 4.787 1.00 1.35 C ATOM 1009 CG2 VAL A 69 8.661 3.287 5.172 1.00 1.35 C ATOM 0 H VAL A 69 6.127 1.261 5.104 1.00 0.63 H new ATOM 0 HA VAL A 69 8.140 1.840 2.971 1.00 0.68 H new ATOM 0 HB VAL A 69 8.363 1.336 5.968 1.00 0.68 H new ATOM 0 HG11 VAL A 69 10.761 1.528 5.608 1.00 1.35 H new ATOM 0 HG12 VAL A 69 10.081 0.135 4.733 1.00 1.35 H new ATOM 0 HG13 VAL A 69 10.501 1.621 3.850 1.00 1.35 H new ATOM 0 HG21 VAL A 69 9.313 3.593 5.990 1.00 1.35 H new ATOM 0 HG22 VAL A 69 8.998 3.752 4.246 1.00 1.35 H new ATOM 0 HG23 VAL A 69 7.639 3.602 5.385 1.00 1.35 H new ATOM 1019 N GLY A 70 7.769 -0.526 2.297 1.00 0.95 N ATOM 1020 CA GLY A 70 7.763 -1.919 1.885 1.00 1.16 C ATOM 1021 C GLY A 70 9.192 -2.364 1.597 1.00 1.37 C ATOM 1022 O GLY A 70 9.913 -1.656 0.895 1.00 1.48 O ATOM 0 H GLY A 70 7.738 0.136 1.522 1.00 0.95 H new ATOM 0 HA2 GLY A 70 7.327 -2.540 2.668 1.00 1.16 H new ATOM 0 HA3 GLY A 70 7.144 -2.045 0.996 1.00 1.16 H new ATOM 1026 N PRO A 71 9.641 -3.510 2.118 1.00 1.74 N ATOM 1027 CA PRO A 71 11.014 -3.943 1.953 1.00 1.97 C ATOM 1028 C PRO A 71 11.320 -4.269 0.505 1.00 1.52 C ATOM 1029 O PRO A 71 10.446 -4.649 -0.273 1.00 1.53 O ATOM 1030 CB PRO A 71 11.175 -5.187 2.813 1.00 2.59 C ATOM 1031 CG PRO A 71 9.747 -5.716 2.927 1.00 2.59 C ATOM 1032 CD PRO A 71 8.878 -4.464 2.893 1.00 2.11 C ATOM 0 HA PRO A 71 11.703 -3.152 2.250 1.00 1.97 H new ATOM 0 HB2 PRO A 71 11.839 -5.916 2.348 1.00 2.59 H new ATOM 0 HB3 PRO A 71 11.596 -4.950 3.790 1.00 2.59 H new ATOM 0 HG2 PRO A 71 9.506 -6.390 2.105 1.00 2.59 H new ATOM 0 HG3 PRO A 71 9.603 -6.276 3.851 1.00 2.59 H new ATOM 0 HD2 PRO A 71 7.911 -4.665 2.433 1.00 2.11 H new ATOM 0 HD3 PRO A 71 8.681 -4.091 3.898 1.00 2.11 H new ATOM 1040 N ASN A 72 12.596 -4.169 0.153 1.00 1.32 N ATOM 1041 CA ASN A 72 13.061 -4.380 -1.189 1.00 1.09 C ATOM 1042 C ASN A 72 13.839 -5.677 -1.188 1.00 1.02 C ATOM 1043 O ASN A 72 15.049 -5.651 -1.029 1.00 1.04 O ATOM 1044 CB ASN A 72 13.871 -3.165 -1.682 1.00 1.30 C ATOM 1045 CG ASN A 72 15.050 -2.766 -0.790 1.00 2.95 C ATOM 1046 OD1 ASN A 72 15.004 -2.868 0.429 1.00 4.10 O ATOM 1047 ND2 ASN A 72 16.112 -2.228 -1.373 1.00 3.86 N ATOM 0 H ASN A 72 13.339 -3.935 0.811 1.00 1.32 H new ATOM 0 HA ASN A 72 12.237 -4.469 -1.897 1.00 1.09 H new ATOM 0 HB2 ASN A 72 14.248 -3.381 -2.682 1.00 1.30 H new ATOM 0 HB3 ASN A 72 13.199 -2.312 -1.772 1.00 1.30 H new ATOM 0 HD21 ASN A 72 16.893 -1.898 -0.806 1.00 3.86 H new ATOM 0 HD22 ASN A 72 16.148 -2.144 -2.389 1.00 3.86 H new ATOM 1054 N PHE A 73 13.165 -6.813 -1.401 1.00 0.98 N ATOM 1055 CA PHE A 73 13.840 -8.105 -1.556 1.00 0.93 C ATOM 1056 C PHE A 73 14.933 -8.026 -2.627 1.00 0.87 C ATOM 1057 O PHE A 73 15.942 -8.720 -2.553 1.00 0.91 O ATOM 1058 CB PHE A 73 12.821 -9.219 -1.831 1.00 0.95 C ATOM 1059 CG PHE A 73 13.419 -10.593 -2.053 1.00 1.95 C ATOM 1060 CD1 PHE A 73 14.102 -11.244 -1.013 1.00 3.19 C ATOM 1061 CD2 PHE A 73 13.282 -11.228 -3.303 1.00 3.09 C ATOM 1062 CE1 PHE A 73 14.654 -12.520 -1.222 1.00 4.41 C ATOM 1063 CE2 PHE A 73 13.818 -12.511 -3.506 1.00 4.33 C ATOM 1064 CZ PHE A 73 14.503 -13.159 -2.464 1.00 4.72 C ATOM 0 H PHE A 73 12.149 -6.863 -1.470 1.00 0.98 H new ATOM 0 HA PHE A 73 14.338 -8.356 -0.620 1.00 0.93 H new ATOM 0 HB2 PHE A 73 12.128 -9.272 -0.991 1.00 0.95 H new ATOM 0 HB3 PHE A 73 12.237 -8.947 -2.710 1.00 0.95 H new ATOM 0 HD1 PHE A 73 14.203 -10.764 -0.051 1.00 3.19 H new ATOM 0 HD2 PHE A 73 12.764 -10.727 -4.107 1.00 3.09 H new ATOM 0 HE1 PHE A 73 15.195 -13.010 -0.426 1.00 4.41 H new ATOM 0 HE2 PHE A 73 13.704 -12.999 -4.463 1.00 4.33 H new ATOM 0 HZ PHE A 73 14.913 -14.146 -2.618 1.00 4.72 H new ATOM 1074 N ASN A 74 14.797 -7.107 -3.585 1.00 0.85 N ATOM 1075 CA ASN A 74 15.832 -6.837 -4.570 1.00 0.86 C ATOM 1076 C ASN A 74 17.209 -6.597 -3.934 1.00 0.95 C ATOM 1077 O ASN A 74 18.232 -6.985 -4.500 1.00 1.11 O ATOM 1078 CB ASN A 74 15.370 -5.651 -5.434 1.00 0.92 C ATOM 1079 CG ASN A 74 16.127 -5.499 -6.746 1.00 1.18 C ATOM 1080 OD1 ASN A 74 17.106 -6.183 -7.013 1.00 1.88 O ATOM 1081 ND2 ASN A 74 15.696 -4.578 -7.595 1.00 1.72 N ATOM 0 H ASN A 74 13.962 -6.531 -3.695 1.00 0.85 H new ATOM 0 HA ASN A 74 15.969 -7.717 -5.199 1.00 0.86 H new ATOM 0 HB2 ASN A 74 14.308 -5.767 -5.652 1.00 0.92 H new ATOM 0 HB3 ASN A 74 15.478 -4.733 -4.857 1.00 0.92 H new ATOM 0 HD21 ASN A 74 16.181 -4.434 -8.481 1.00 1.72 H new ATOM 0 HD22 ASN A 74 14.879 -4.013 -7.363 1.00 1.72 H new ATOM 1088 N LYS A 75 17.270 -5.923 -2.783 1.00 0.92 N ATOM 1089 CA LYS A 75 18.514 -5.707 -2.049 1.00 1.03 C ATOM 1090 C LYS A 75 18.329 -6.034 -0.561 1.00 0.97 C ATOM 1091 O LYS A 75 19.001 -5.457 0.289 1.00 1.00 O ATOM 1092 CB LYS A 75 18.997 -4.265 -2.250 1.00 1.17 C ATOM 1093 CG LYS A 75 19.770 -4.059 -3.558 1.00 1.30 C ATOM 1094 CD LYS A 75 18.893 -3.758 -4.781 1.00 2.32 C ATOM 1095 CE LYS A 75 19.614 -4.146 -6.077 1.00 2.84 C ATOM 1096 NZ LYS A 75 19.770 -5.611 -6.222 1.00 4.74 N ATOM 0 H LYS A 75 16.452 -5.511 -2.334 1.00 0.92 H new ATOM 0 HA LYS A 75 19.278 -6.380 -2.439 1.00 1.03 H new ATOM 0 HB2 LYS A 75 18.137 -3.596 -2.236 1.00 1.17 H new ATOM 0 HB3 LYS A 75 19.634 -3.983 -1.412 1.00 1.17 H new ATOM 0 HG2 LYS A 75 20.474 -3.238 -3.422 1.00 1.30 H new ATOM 0 HG3 LYS A 75 20.358 -4.954 -3.761 1.00 1.30 H new ATOM 0 HD2 LYS A 75 17.954 -4.306 -4.704 1.00 2.32 H new ATOM 0 HD3 LYS A 75 18.643 -2.697 -4.802 1.00 2.32 H new ATOM 0 HE2 LYS A 75 19.057 -3.757 -6.929 1.00 2.84 H new ATOM 0 HE3 LYS A 75 20.597 -3.675 -6.097 1.00 2.84 H new ATOM 0 HZ1 LYS A 75 20.733 -5.827 -6.549 1.00 4.74 H new ATOM 0 HZ2 LYS A 75 19.605 -6.070 -5.304 1.00 4.74 H new ATOM 0 HZ3 LYS A 75 19.081 -5.967 -6.915 1.00 4.74 H new ATOM 1110 N VAL A 76 17.448 -6.974 -0.230 1.00 0.94 N ATOM 1111 CA VAL A 76 17.259 -7.383 1.165 1.00 0.97 C ATOM 1112 C VAL A 76 16.883 -8.865 1.214 1.00 0.91 C ATOM 1113 O VAL A 76 16.247 -9.365 0.293 1.00 0.94 O ATOM 1114 CB VAL A 76 16.248 -6.436 1.857 1.00 1.04 C ATOM 1115 CG1 VAL A 76 14.910 -7.078 2.242 1.00 0.77 C ATOM 1116 CG2 VAL A 76 16.876 -5.820 3.109 1.00 1.43 C ATOM 0 H VAL A 76 16.856 -7.465 -0.900 1.00 0.94 H new ATOM 0 HA VAL A 76 18.184 -7.289 1.733 1.00 0.97 H new ATOM 0 HB VAL A 76 16.018 -5.679 1.107 1.00 1.04 H new ATOM 0 HG11 VAL A 76 14.273 -6.333 2.719 1.00 0.77 H new ATOM 0 HG12 VAL A 76 14.417 -7.457 1.347 1.00 0.77 H new ATOM 0 HG13 VAL A 76 15.087 -7.901 2.934 1.00 0.77 H new ATOM 0 HG21 VAL A 76 16.156 -5.156 3.588 1.00 1.43 H new ATOM 0 HG22 VAL A 76 17.156 -6.612 3.803 1.00 1.43 H new ATOM 0 HG23 VAL A 76 17.763 -5.252 2.829 1.00 1.43 H new ATOM 1126 N SER A 77 17.286 -9.599 2.255 1.00 0.91 N ATOM 1127 CA SER A 77 17.024 -11.022 2.335 1.00 0.91 C ATOM 1128 C SER A 77 15.562 -11.246 2.699 1.00 0.83 C ATOM 1129 O SER A 77 14.972 -10.419 3.384 1.00 0.79 O ATOM 1130 CB SER A 77 17.922 -11.621 3.417 1.00 1.01 C ATOM 1131 OG SER A 77 19.261 -11.243 3.178 1.00 1.36 O ATOM 0 H SER A 77 17.797 -9.221 3.053 1.00 0.91 H new ATOM 0 HA SER A 77 17.230 -11.498 1.376 1.00 0.91 H new ATOM 0 HB2 SER A 77 17.605 -11.275 4.401 1.00 1.01 H new ATOM 0 HB3 SER A 77 17.834 -12.707 3.418 1.00 1.01 H new ATOM 0 HG SER A 77 19.838 -11.625 3.872 1.00 1.36 H new ATOM 1137 N GLU A 78 15.010 -12.407 2.347 1.00 0.86 N ATOM 1138 CA GLU A 78 13.649 -12.818 2.699 1.00 0.85 C ATOM 1139 C GLU A 78 13.411 -12.735 4.204 1.00 0.81 C ATOM 1140 O GLU A 78 12.291 -12.516 4.639 1.00 0.80 O ATOM 1141 CB GLU A 78 13.404 -14.255 2.204 1.00 0.92 C ATOM 1142 CG GLU A 78 12.650 -14.295 0.867 1.00 1.04 C ATOM 1143 CD GLU A 78 11.180 -14.668 1.049 1.00 1.90 C ATOM 1144 OE1 GLU A 78 10.475 -13.873 1.707 1.00 3.25 O ATOM 1145 OE2 GLU A 78 10.788 -15.735 0.525 1.00 2.44 O ATOM 0 H GLU A 78 15.508 -13.106 1.796 1.00 0.86 H new ATOM 0 HA GLU A 78 12.949 -12.136 2.216 1.00 0.85 H new ATOM 0 HB2 GLU A 78 14.360 -14.766 2.094 1.00 0.92 H new ATOM 0 HB3 GLU A 78 12.835 -14.803 2.955 1.00 0.92 H new ATOM 0 HG2 GLU A 78 12.719 -13.321 0.383 1.00 1.04 H new ATOM 0 HG3 GLU A 78 13.127 -15.016 0.203 1.00 1.04 H new ATOM 1152 N VAL A 79 14.449 -12.894 5.025 1.00 0.84 N ATOM 1153 CA VAL A 79 14.265 -12.837 6.470 1.00 0.85 C ATOM 1154 C VAL A 79 13.932 -11.402 6.872 1.00 0.80 C ATOM 1155 O VAL A 79 13.024 -11.151 7.664 1.00 0.78 O ATOM 1156 CB VAL A 79 15.527 -13.356 7.175 1.00 0.96 C ATOM 1157 CG1 VAL A 79 15.407 -13.258 8.701 1.00 1.05 C ATOM 1158 CG2 VAL A 79 15.767 -14.821 6.795 1.00 1.00 C ATOM 0 H VAL A 79 15.408 -13.060 4.719 1.00 0.84 H new ATOM 0 HA VAL A 79 13.436 -13.476 6.775 1.00 0.85 H new ATOM 0 HB VAL A 79 16.362 -12.734 6.852 1.00 0.96 H new ATOM 0 HG11 VAL A 79 16.320 -13.635 9.163 1.00 1.05 H new ATOM 0 HG12 VAL A 79 15.258 -12.217 8.988 1.00 1.05 H new ATOM 0 HG13 VAL A 79 14.558 -13.852 9.038 1.00 1.05 H new ATOM 0 HG21 VAL A 79 16.663 -15.185 7.297 1.00 1.00 H new ATOM 0 HG22 VAL A 79 14.910 -15.421 7.101 1.00 1.00 H new ATOM 0 HG23 VAL A 79 15.898 -14.900 5.716 1.00 1.00 H new ATOM 1168 N GLU A 80 14.683 -10.448 6.329 1.00 0.80 N ATOM 1169 CA GLU A 80 14.500 -9.057 6.697 1.00 0.77 C ATOM 1170 C GLU A 80 13.255 -8.514 6.015 1.00 0.69 C ATOM 1171 O GLU A 80 12.589 -7.642 6.556 1.00 0.62 O ATOM 1172 CB GLU A 80 15.747 -8.255 6.299 1.00 0.83 C ATOM 1173 CG GLU A 80 15.860 -6.927 7.055 1.00 1.04 C ATOM 1174 CD GLU A 80 16.279 -7.163 8.508 1.00 1.88 C ATOM 1175 OE1 GLU A 80 15.392 -7.518 9.319 1.00 3.12 O ATOM 1176 OE2 GLU A 80 17.492 -7.023 8.781 1.00 2.55 O ATOM 0 H GLU A 80 15.416 -10.615 5.640 1.00 0.80 H new ATOM 0 HA GLU A 80 14.366 -8.968 7.775 1.00 0.77 H new ATOM 0 HB2 GLU A 80 16.637 -8.855 6.491 1.00 0.83 H new ATOM 0 HB3 GLU A 80 15.721 -8.058 5.227 1.00 0.83 H new ATOM 0 HG2 GLU A 80 16.588 -6.283 6.562 1.00 1.04 H new ATOM 0 HG3 GLU A 80 14.903 -6.405 7.028 1.00 1.04 H new ATOM 1183 N GLY A 81 12.914 -9.029 4.836 1.00 0.72 N ATOM 1184 CA GLY A 81 11.755 -8.581 4.097 1.00 0.65 C ATOM 1185 C GLY A 81 10.481 -9.201 4.629 1.00 0.58 C ATOM 1186 O GLY A 81 9.435 -8.588 4.504 1.00 0.54 O ATOM 0 H GLY A 81 13.440 -9.770 4.372 1.00 0.72 H new ATOM 0 HA2 GLY A 81 11.683 -7.495 4.155 1.00 0.65 H new ATOM 0 HA3 GLY A 81 11.873 -8.837 3.044 1.00 0.65 H new ATOM 1190 N ASP A 82 10.528 -10.379 5.244 1.00 0.62 N ATOM 1191 CA ASP A 82 9.370 -10.899 5.955 1.00 0.60 C ATOM 1192 C ASP A 82 9.056 -9.943 7.091 1.00 0.54 C ATOM 1193 O ASP A 82 7.946 -9.426 7.199 1.00 0.49 O ATOM 1194 CB ASP A 82 9.652 -12.304 6.495 1.00 0.73 C ATOM 1195 CG ASP A 82 8.587 -12.727 7.508 1.00 0.91 C ATOM 1196 OD1 ASP A 82 7.474 -13.080 7.061 1.00 1.76 O ATOM 1197 OD2 ASP A 82 8.904 -12.679 8.717 1.00 1.63 O ATOM 0 H ASP A 82 11.348 -10.985 5.263 1.00 0.62 H new ATOM 0 HA ASP A 82 8.518 -10.976 5.280 1.00 0.60 H new ATOM 0 HB2 ASP A 82 9.677 -13.016 5.670 1.00 0.73 H new ATOM 0 HB3 ASP A 82 10.635 -12.326 6.965 1.00 0.73 H new ATOM 1202 N LYS A 83 10.058 -9.653 7.921 1.00 0.58 N ATOM 1203 CA LYS A 83 9.803 -8.851 9.100 1.00 0.60 C ATOM 1204 C LYS A 83 9.420 -7.443 8.706 1.00 0.60 C ATOM 1205 O LYS A 83 8.478 -6.903 9.261 1.00 0.61 O ATOM 1206 CB LYS A 83 11.009 -8.875 10.028 1.00 0.78 C ATOM 1207 CG LYS A 83 11.027 -10.246 10.719 1.00 0.99 C ATOM 1208 CD LYS A 83 12.337 -10.538 11.446 1.00 1.34 C ATOM 1209 CE LYS A 83 12.607 -9.486 12.523 1.00 2.05 C ATOM 1210 NZ LYS A 83 13.676 -9.927 13.442 1.00 2.88 N ATOM 0 H LYS A 83 11.025 -9.955 7.799 1.00 0.58 H new ATOM 0 HA LYS A 83 8.962 -9.277 9.647 1.00 0.60 H new ATOM 0 HB2 LYS A 83 11.929 -8.716 9.466 1.00 0.78 H new ATOM 0 HB3 LYS A 83 10.943 -8.074 10.765 1.00 0.78 H new ATOM 0 HG2 LYS A 83 10.204 -10.296 11.432 1.00 0.99 H new ATOM 0 HG3 LYS A 83 10.852 -11.023 9.975 1.00 0.99 H new ATOM 0 HD2 LYS A 83 12.293 -11.528 11.901 1.00 1.34 H new ATOM 0 HD3 LYS A 83 13.160 -10.552 10.731 1.00 1.34 H new ATOM 0 HE2 LYS A 83 12.893 -8.545 12.053 1.00 2.05 H new ATOM 0 HE3 LYS A 83 11.694 -9.296 13.087 1.00 2.05 H new ATOM 0 HZ1 LYS A 83 13.839 -9.195 14.162 1.00 2.88 H new ATOM 0 HZ2 LYS A 83 13.391 -10.813 13.907 1.00 2.88 H new ATOM 0 HZ3 LYS A 83 14.552 -10.085 12.905 1.00 2.88 H new ATOM 1224 N GLN A 84 10.113 -6.843 7.744 1.00 0.62 N ATOM 1225 CA GLN A 84 9.809 -5.494 7.306 1.00 0.66 C ATOM 1226 C GLN A 84 8.448 -5.456 6.625 1.00 0.61 C ATOM 1227 O GLN A 84 7.721 -4.479 6.766 1.00 0.64 O ATOM 1228 CB GLN A 84 10.888 -5.011 6.335 1.00 0.76 C ATOM 1229 CG GLN A 84 12.146 -4.530 7.062 1.00 1.91 C ATOM 1230 CD GLN A 84 11.825 -3.295 7.891 1.00 2.77 C ATOM 1231 OE1 GLN A 84 11.163 -2.387 7.405 1.00 2.51 O ATOM 1232 NE2 GLN A 84 12.258 -3.262 9.140 1.00 4.02 N ATOM 0 H GLN A 84 10.894 -7.277 7.252 1.00 0.62 H new ATOM 0 HA GLN A 84 9.786 -4.837 8.176 1.00 0.66 H new ATOM 0 HB2 GLN A 84 11.151 -5.821 5.654 1.00 0.76 H new ATOM 0 HB3 GLN A 84 10.490 -4.200 5.726 1.00 0.76 H new ATOM 0 HG2 GLN A 84 12.529 -5.321 7.706 1.00 1.91 H new ATOM 0 HG3 GLN A 84 12.929 -4.300 6.339 1.00 1.91 H new ATOM 0 HE21 GLN A 84 12.807 -4.038 9.510 1.00 4.02 H new ATOM 0 HE22 GLN A 84 12.043 -2.461 9.733 1.00 4.02 H new ATOM 1241 N LEU A 85 8.081 -6.496 5.873 1.00 0.55 N ATOM 1242 CA LEU A 85 6.784 -6.500 5.213 1.00 0.55 C ATOM 1243 C LEU A 85 5.698 -6.554 6.279 1.00 0.49 C ATOM 1244 O LEU A 85 4.672 -5.889 6.152 1.00 0.51 O ATOM 1245 CB LEU A 85 6.694 -7.663 4.212 1.00 0.55 C ATOM 1246 CG LEU A 85 5.398 -7.718 3.394 1.00 0.60 C ATOM 1247 CD1 LEU A 85 5.157 -6.398 2.652 1.00 0.97 C ATOM 1248 CD2 LEU A 85 5.506 -8.842 2.361 1.00 0.82 C ATOM 0 H LEU A 85 8.652 -7.326 5.711 1.00 0.55 H new ATOM 0 HA LEU A 85 6.646 -5.588 4.632 1.00 0.55 H new ATOM 0 HB2 LEU A 85 7.537 -7.596 3.524 1.00 0.55 H new ATOM 0 HB3 LEU A 85 6.801 -8.601 4.757 1.00 0.55 H new ATOM 0 HG LEU A 85 4.568 -7.896 4.078 1.00 0.60 H new ATOM 0 HD11 LEU A 85 4.231 -6.466 2.080 1.00 0.97 H new ATOM 0 HD12 LEU A 85 5.080 -5.584 3.373 1.00 0.97 H new ATOM 0 HD13 LEU A 85 5.989 -6.204 1.974 1.00 0.97 H new ATOM 0 HD21 LEU A 85 4.588 -8.887 1.775 1.00 0.82 H new ATOM 0 HD22 LEU A 85 6.350 -8.648 1.699 1.00 0.82 H new ATOM 0 HD23 LEU A 85 5.658 -9.793 2.872 1.00 0.82 H new ATOM 1260 N ALA A 86 5.935 -7.305 7.355 1.00 0.44 N ATOM 1261 CA ALA A 86 4.984 -7.394 8.441 1.00 0.41 C ATOM 1262 C ALA A 86 5.022 -6.134 9.286 1.00 0.40 C ATOM 1263 O ALA A 86 4.003 -5.781 9.845 1.00 0.38 O ATOM 1264 CB ALA A 86 5.301 -8.618 9.299 1.00 0.41 C ATOM 0 H ALA A 86 6.782 -7.858 7.489 1.00 0.44 H new ATOM 0 HA ALA A 86 3.981 -7.496 8.027 1.00 0.41 H new ATOM 0 HB1 ALA A 86 4.584 -8.684 10.117 1.00 0.41 H new ATOM 0 HB2 ALA A 86 5.238 -9.518 8.687 1.00 0.41 H new ATOM 0 HB3 ALA A 86 6.308 -8.526 9.706 1.00 0.41 H new ATOM 1270 N GLU A 87 6.146 -5.434 9.376 1.00 0.47 N ATOM 1271 CA GLU A 87 6.251 -4.185 10.112 1.00 0.47 C ATOM 1272 C GLU A 87 5.412 -3.130 9.407 1.00 0.48 C ATOM 1273 O GLU A 87 4.649 -2.408 10.043 1.00 0.46 O ATOM 1274 CB GLU A 87 7.723 -3.754 10.203 1.00 0.48 C ATOM 1275 CG GLU A 87 8.443 -4.339 11.421 1.00 0.54 C ATOM 1276 CD GLU A 87 9.517 -3.372 11.941 1.00 0.83 C ATOM 1277 OE1 GLU A 87 9.307 -2.797 13.033 1.00 2.21 O ATOM 1278 OE2 GLU A 87 10.532 -3.196 11.232 1.00 1.74 O ATOM 0 H GLU A 87 7.019 -5.723 8.934 1.00 0.47 H new ATOM 0 HA GLU A 87 5.878 -4.313 11.128 1.00 0.47 H new ATOM 0 HB2 GLU A 87 8.243 -4.064 9.297 1.00 0.48 H new ATOM 0 HB3 GLU A 87 7.775 -2.666 10.245 1.00 0.48 H new ATOM 0 HG2 GLU A 87 7.721 -4.545 12.211 1.00 0.54 H new ATOM 0 HG3 GLU A 87 8.903 -5.290 11.154 1.00 0.54 H new ATOM 1285 N ALA A 88 5.496 -3.083 8.079 1.00 0.53 N ATOM 1286 CA ALA A 88 4.727 -2.143 7.281 1.00 0.59 C ATOM 1287 C ALA A 88 3.246 -2.418 7.500 1.00 0.56 C ATOM 1288 O ALA A 88 2.465 -1.532 7.846 1.00 0.58 O ATOM 1289 CB ALA A 88 5.104 -2.303 5.806 1.00 0.64 C ATOM 0 H ALA A 88 6.099 -3.696 7.531 1.00 0.53 H new ATOM 0 HA ALA A 88 4.944 -1.117 7.579 1.00 0.59 H new ATOM 0 HB1 ALA A 88 4.529 -1.599 5.205 1.00 0.64 H new ATOM 0 HB2 ALA A 88 6.168 -2.104 5.679 1.00 0.64 H new ATOM 0 HB3 ALA A 88 4.884 -3.320 5.483 1.00 0.64 H new ATOM 1295 N TYR A 89 2.870 -3.677 7.301 1.00 0.52 N ATOM 1296 CA TYR A 89 1.520 -4.163 7.451 1.00 0.52 C ATOM 1297 C TYR A 89 1.045 -4.080 8.895 1.00 0.47 C ATOM 1298 O TYR A 89 -0.153 -3.946 9.100 1.00 0.47 O ATOM 1299 CB TYR A 89 1.459 -5.586 6.879 1.00 0.53 C ATOM 1300 CG TYR A 89 1.412 -5.693 5.358 1.00 0.62 C ATOM 1301 CD1 TYR A 89 0.781 -4.711 4.563 1.00 1.84 C ATOM 1302 CD2 TYR A 89 2.002 -6.806 4.728 1.00 1.65 C ATOM 1303 CE1 TYR A 89 0.798 -4.807 3.160 1.00 1.91 C ATOM 1304 CE2 TYR A 89 2.000 -6.919 3.325 1.00 1.68 C ATOM 1305 CZ TYR A 89 1.422 -5.904 2.534 1.00 0.86 C ATOM 1306 OH TYR A 89 1.433 -5.982 1.173 1.00 1.01 O ATOM 0 H TYR A 89 3.527 -4.406 7.021 1.00 0.52 H new ATOM 0 HA TYR A 89 0.830 -3.530 6.893 1.00 0.52 H new ATOM 0 HB2 TYR A 89 2.329 -6.137 7.236 1.00 0.53 H new ATOM 0 HB3 TYR A 89 0.578 -6.083 7.286 1.00 0.53 H new ATOM 0 HD1 TYR A 89 0.281 -3.879 5.037 1.00 1.84 H new ATOM 0 HD2 TYR A 89 2.460 -7.579 5.327 1.00 1.65 H new ATOM 0 HE1 TYR A 89 0.332 -4.038 2.561 1.00 1.91 H new ATOM 0 HE2 TYR A 89 2.442 -7.784 2.853 1.00 1.68 H new ATOM 0 HH TYR A 89 2.168 -6.563 0.885 1.00 1.01 H new ATOM 1316 N GLU A 90 1.923 -4.089 9.893 1.00 0.44 N ATOM 1317 CA GLU A 90 1.532 -3.897 11.276 1.00 0.44 C ATOM 1318 C GLU A 90 1.215 -2.436 11.499 1.00 0.39 C ATOM 1319 O GLU A 90 0.184 -2.134 12.079 1.00 0.34 O ATOM 1320 CB GLU A 90 2.612 -4.345 12.271 1.00 0.53 C ATOM 1321 CG GLU A 90 2.442 -5.821 12.642 1.00 1.25 C ATOM 1322 CD GLU A 90 3.166 -6.144 13.950 1.00 1.77 C ATOM 1323 OE1 GLU A 90 2.643 -5.722 15.005 1.00 2.56 O ATOM 1324 OE2 GLU A 90 4.231 -6.798 13.883 1.00 2.90 O ATOM 0 H GLU A 90 2.925 -4.230 9.761 1.00 0.44 H new ATOM 0 HA GLU A 90 0.656 -4.519 11.458 1.00 0.44 H new ATOM 0 HB2 GLU A 90 3.599 -4.188 11.836 1.00 0.53 H new ATOM 0 HB3 GLU A 90 2.558 -3.732 13.171 1.00 0.53 H new ATOM 0 HG2 GLU A 90 1.382 -6.055 12.741 1.00 1.25 H new ATOM 0 HG3 GLU A 90 2.833 -6.448 11.841 1.00 1.25 H new ATOM 1331 N SER A 91 2.058 -1.515 11.034 1.00 0.47 N ATOM 1332 CA SER A 91 1.749 -0.104 11.188 1.00 0.47 C ATOM 1333 C SER A 91 0.441 0.213 10.477 1.00 0.46 C ATOM 1334 O SER A 91 -0.335 1.023 10.976 1.00 0.49 O ATOM 1335 CB SER A 91 2.852 0.796 10.614 1.00 0.57 C ATOM 1336 OG SER A 91 3.975 0.944 11.461 1.00 1.01 O ATOM 0 H SER A 91 2.938 -1.718 10.560 1.00 0.47 H new ATOM 0 HA SER A 91 1.668 0.095 12.257 1.00 0.47 H new ATOM 0 HB2 SER A 91 3.182 0.385 9.660 1.00 0.57 H new ATOM 0 HB3 SER A 91 2.433 1.781 10.409 1.00 0.57 H new ATOM 0 HG SER A 91 4.001 1.858 11.813 1.00 1.01 H new ATOM 1342 N ILE A 92 0.181 -0.399 9.322 1.00 0.48 N ATOM 1343 CA ILE A 92 -1.038 -0.121 8.589 1.00 0.50 C ATOM 1344 C ILE A 92 -2.209 -0.770 9.323 1.00 0.47 C ATOM 1345 O ILE A 92 -3.260 -0.157 9.448 1.00 0.46 O ATOM 1346 CB ILE A 92 -0.873 -0.553 7.115 1.00 0.57 C ATOM 1347 CG1 ILE A 92 -0.514 0.661 6.244 1.00 0.63 C ATOM 1348 CG2 ILE A 92 -2.125 -1.171 6.512 1.00 0.61 C ATOM 1349 CD1 ILE A 92 0.958 0.999 6.405 1.00 1.01 C ATOM 0 H ILE A 92 0.797 -1.083 8.883 1.00 0.48 H new ATOM 0 HA ILE A 92 -1.254 0.947 8.550 1.00 0.50 H new ATOM 0 HB ILE A 92 -0.084 -1.305 7.125 1.00 0.57 H new ATOM 0 HG12 ILE A 92 -0.734 0.446 5.198 1.00 0.63 H new ATOM 0 HG13 ILE A 92 -1.125 1.517 6.529 1.00 0.63 H new ATOM 0 HG21 ILE A 92 -1.931 -1.449 5.476 1.00 0.61 H new ATOM 0 HG22 ILE A 92 -2.402 -2.059 7.080 1.00 0.61 H new ATOM 0 HG23 ILE A 92 -2.941 -0.449 6.547 1.00 0.61 H new ATOM 0 HD11 ILE A 92 1.204 1.861 5.784 1.00 1.01 H new ATOM 0 HD12 ILE A 92 1.165 1.233 7.449 1.00 1.01 H new ATOM 0 HD13 ILE A 92 1.563 0.146 6.097 1.00 1.01 H new ATOM 1361 N ALA A 93 -2.036 -1.987 9.833 1.00 0.50 N ATOM 1362 CA ALA A 93 -3.097 -2.760 10.471 1.00 0.53 C ATOM 1363 C ALA A 93 -3.584 -2.043 11.718 1.00 0.50 C ATOM 1364 O ALA A 93 -4.768 -1.768 11.897 1.00 0.55 O ATOM 1365 CB ALA A 93 -2.555 -4.132 10.875 1.00 0.74 C ATOM 0 H ALA A 93 -1.139 -2.472 9.814 1.00 0.50 H new ATOM 0 HA ALA A 93 -3.922 -2.874 9.768 1.00 0.53 H new ATOM 0 HB1 ALA A 93 -3.347 -4.710 11.352 1.00 0.74 H new ATOM 0 HB2 ALA A 93 -2.204 -4.660 9.988 1.00 0.74 H new ATOM 0 HB3 ALA A 93 -1.728 -4.005 11.573 1.00 0.74 H new ATOM 1371 N LYS A 94 -2.645 -1.737 12.604 1.00 0.47 N ATOM 1372 CA LYS A 94 -2.920 -1.038 13.836 1.00 0.46 C ATOM 1373 C LYS A 94 -3.529 0.317 13.509 1.00 0.46 C ATOM 1374 O LYS A 94 -4.493 0.698 14.150 1.00 0.52 O ATOM 1375 CB LYS A 94 -1.658 -1.007 14.708 1.00 0.45 C ATOM 1376 CG LYS A 94 -0.517 -0.167 14.151 1.00 2.53 C ATOM 1377 CD LYS A 94 -0.463 1.209 14.809 1.00 3.75 C ATOM 1378 CE LYS A 94 0.703 1.988 14.206 1.00 5.69 C ATOM 1379 NZ LYS A 94 0.781 3.345 14.781 1.00 7.16 N ATOM 0 H LYS A 94 -1.661 -1.974 12.478 1.00 0.47 H new ATOM 0 HA LYS A 94 -3.663 -1.555 14.443 1.00 0.46 H new ATOM 0 HB2 LYS A 94 -1.924 -0.625 15.694 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -1.304 -2.029 14.847 1.00 0.45 H new ATOM 0 HG2 LYS A 94 0.429 -0.685 14.310 1.00 2.53 H new ATOM 0 HG3 LYS A 94 -0.640 -0.052 13.074 1.00 2.53 H new ATOM 0 HD2 LYS A 94 -1.399 1.743 14.648 1.00 3.75 H new ATOM 0 HD3 LYS A 94 -0.335 1.109 15.887 1.00 3.75 H new ATOM 0 HE2 LYS A 94 1.636 1.456 14.391 1.00 5.69 H new ATOM 0 HE3 LYS A 94 0.582 2.053 13.125 1.00 5.69 H new ATOM 0 HZ1 LYS A 94 1.581 3.856 14.357 1.00 7.16 H new ATOM 0 HZ2 LYS A 94 -0.102 3.857 14.583 1.00 7.16 H new ATOM 0 HZ3 LYS A 94 0.919 3.279 15.810 1.00 7.16 H new ATOM 1393 N ILE A 95 -3.058 1.015 12.469 1.00 0.42 N ATOM 1394 CA ILE A 95 -3.671 2.283 12.077 1.00 0.41 C ATOM 1395 C ILE A 95 -5.102 2.078 11.583 1.00 0.41 C ATOM 1396 O ILE A 95 -5.962 2.922 11.823 1.00 0.41 O ATOM 1397 CB ILE A 95 -2.783 3.003 11.043 1.00 0.44 C ATOM 1398 CG1 ILE A 95 -1.603 3.646 11.793 1.00 0.71 C ATOM 1399 CG2 ILE A 95 -3.539 4.079 10.257 1.00 0.77 C ATOM 1400 CD1 ILE A 95 -0.503 4.167 10.863 1.00 0.74 C ATOM 0 H ILE A 95 -2.267 0.727 11.893 1.00 0.42 H new ATOM 0 HA ILE A 95 -3.742 2.928 12.953 1.00 0.41 H new ATOM 0 HB ILE A 95 -2.442 2.267 10.316 1.00 0.44 H new ATOM 0 HG12 ILE A 95 -1.975 4.470 12.402 1.00 0.71 H new ATOM 0 HG13 ILE A 95 -1.174 2.913 12.477 1.00 0.71 H new ATOM 0 HG21 ILE A 95 -2.863 4.552 9.544 1.00 0.77 H new ATOM 0 HG22 ILE A 95 -4.370 3.621 9.720 1.00 0.77 H new ATOM 0 HG23 ILE A 95 -3.923 4.831 10.946 1.00 0.77 H new ATOM 0 HD11 ILE A 95 0.298 4.607 11.457 1.00 0.74 H new ATOM 0 HD12 ILE A 95 -0.105 3.342 10.272 1.00 0.74 H new ATOM 0 HD13 ILE A 95 -0.918 4.923 10.196 1.00 0.74 H new ATOM 1412 N VAL A 96 -5.374 0.981 10.887 1.00 0.47 N ATOM 1413 CA VAL A 96 -6.684 0.668 10.340 1.00 0.54 C ATOM 1414 C VAL A 96 -7.649 0.445 11.494 1.00 0.55 C ATOM 1415 O VAL A 96 -8.801 0.869 11.440 1.00 0.57 O ATOM 1416 CB VAL A 96 -6.561 -0.553 9.398 1.00 0.64 C ATOM 1417 CG1 VAL A 96 -7.878 -1.300 9.157 1.00 0.80 C ATOM 1418 CG2 VAL A 96 -5.982 -0.140 8.039 1.00 0.72 C ATOM 0 H VAL A 96 -4.672 0.269 10.684 1.00 0.47 H new ATOM 0 HA VAL A 96 -7.078 1.489 9.741 1.00 0.54 H new ATOM 0 HB VAL A 96 -5.890 -1.237 9.918 1.00 0.64 H new ATOM 0 HG11 VAL A 96 -7.702 -2.141 8.486 1.00 0.80 H new ATOM 0 HG12 VAL A 96 -8.266 -1.668 10.107 1.00 0.80 H new ATOM 0 HG13 VAL A 96 -8.603 -0.622 8.707 1.00 0.80 H new ATOM 0 HG21 VAL A 96 -5.905 -1.016 7.395 1.00 0.72 H new ATOM 0 HG22 VAL A 96 -6.637 0.597 7.573 1.00 0.72 H new ATOM 0 HG23 VAL A 96 -4.992 0.293 8.182 1.00 0.72 H new ATOM 1428 N ASN A 97 -7.182 -0.212 12.550 1.00 0.56 N ATOM 1429 CA ASN A 97 -8.019 -0.579 13.675 1.00 0.66 C ATOM 1430 C ASN A 97 -8.207 0.634 14.577 1.00 0.62 C ATOM 1431 O ASN A 97 -9.287 0.844 15.117 1.00 0.72 O ATOM 1432 CB ASN A 97 -7.365 -1.736 14.437 1.00 0.77 C ATOM 1433 CG ASN A 97 -8.393 -2.726 14.970 1.00 0.88 C ATOM 1434 OD1 ASN A 97 -9.446 -2.927 14.379 1.00 1.31 O ATOM 1435 ND2 ASN A 97 -8.087 -3.409 16.065 1.00 1.77 N ATOM 0 H ASN A 97 -6.209 -0.504 12.645 1.00 0.56 H new ATOM 0 HA ASN A 97 -8.999 -0.906 13.327 1.00 0.66 H new ATOM 0 HB2 ASN A 97 -6.669 -2.256 13.778 1.00 0.77 H new ATOM 0 HB3 ASN A 97 -6.781 -1.338 15.267 1.00 0.77 H new ATOM 0 HD21 ASN A 97 -8.733 -4.112 16.425 1.00 1.77 H new ATOM 0 HD22 ASN A 97 -7.206 -3.231 16.547 1.00 1.77 H new ATOM 1442 N ASP A 98 -7.162 1.456 14.692 1.00 0.54 N ATOM 1443 CA ASP A 98 -7.133 2.677 15.481 1.00 0.61 C ATOM 1444 C ASP A 98 -8.173 3.626 14.909 1.00 0.66 C ATOM 1445 O ASP A 98 -8.947 4.244 15.635 1.00 0.80 O ATOM 1446 CB ASP A 98 -5.750 3.346 15.380 1.00 0.61 C ATOM 1447 CG ASP A 98 -4.679 2.800 16.328 1.00 1.32 C ATOM 1448 OD1 ASP A 98 -5.059 2.140 17.319 1.00 2.41 O ATOM 1449 OD2 ASP A 98 -3.487 3.091 16.060 1.00 2.28 O ATOM 0 H ASP A 98 -6.278 1.276 14.215 1.00 0.54 H new ATOM 0 HA ASP A 98 -7.339 2.444 16.526 1.00 0.61 H new ATOM 0 HB2 ASP A 98 -5.390 3.242 14.356 1.00 0.61 H new ATOM 0 HB3 ASP A 98 -5.868 4.413 15.570 1.00 0.61 H new ATOM 1454 N ASN A 99 -8.188 3.752 13.581 1.00 0.56 N ATOM 1455 CA ASN A 99 -9.155 4.596 12.911 1.00 0.61 C ATOM 1456 C ASN A 99 -10.493 3.881 12.751 1.00 0.63 C ATOM 1457 O ASN A 99 -11.473 4.508 12.346 1.00 0.67 O ATOM 1458 CB ASN A 99 -8.619 4.981 11.537 1.00 0.60 C ATOM 1459 CG ASN A 99 -8.163 6.428 11.489 1.00 0.65 C ATOM 1460 OD1 ASN A 99 -8.911 7.319 11.105 1.00 1.27 O ATOM 1461 ND2 ASN A 99 -6.928 6.685 11.895 1.00 2.28 N ATOM 0 H ASN A 99 -7.538 3.276 12.956 1.00 0.56 H new ATOM 0 HA ASN A 99 -9.314 5.488 13.518 1.00 0.61 H new ATOM 0 HB2 ASN A 99 -7.785 4.329 11.278 1.00 0.60 H new ATOM 0 HB3 ASN A 99 -9.394 4.820 10.788 1.00 0.60 H new ATOM 0 HD21 ASN A 99 -6.579 7.644 11.893 1.00 2.28 H new ATOM 0 HD22 ASN A 99 -6.326 5.924 12.210 1.00 2.28 H new ATOM 1468 N ASN A 100 -10.545 2.573 13.025 1.00 0.65 N ATOM 1469 CA ASN A 100 -11.747 1.773 12.874 1.00 0.72 C ATOM 1470 C ASN A 100 -12.306 1.926 11.464 1.00 0.65 C ATOM 1471 O ASN A 100 -13.484 2.226 11.270 1.00 0.67 O ATOM 1472 CB ASN A 100 -12.744 2.197 13.954 1.00 0.82 C ATOM 1473 CG ASN A 100 -13.661 1.049 14.348 1.00 0.97 C ATOM 1474 OD1 ASN A 100 -14.152 0.309 13.507 1.00 1.46 O ATOM 1475 ND2 ASN A 100 -13.909 0.877 15.639 1.00 1.60 N ATOM 0 H ASN A 100 -9.741 2.042 13.361 1.00 0.65 H new ATOM 0 HA ASN A 100 -11.530 0.713 13.005 1.00 0.72 H new ATOM 0 HB2 ASN A 100 -12.203 2.549 14.832 1.00 0.82 H new ATOM 0 HB3 ASN A 100 -13.342 3.033 13.591 1.00 0.82 H new ATOM 0 HD21 ASN A 100 -14.518 0.118 15.945 1.00 1.60 H new ATOM 0 HD22 ASN A 100 -13.491 1.504 16.327 1.00 1.60 H new ATOM 1482 N TYR A 101 -11.442 1.800 10.458 1.00 0.61 N ATOM 1483 CA TYR A 101 -11.885 1.878 9.081 1.00 0.60 C ATOM 1484 C TYR A 101 -12.794 0.709 8.753 1.00 0.79 C ATOM 1485 O TYR A 101 -12.529 -0.436 9.102 1.00 1.06 O ATOM 1486 CB TYR A 101 -10.707 1.893 8.122 1.00 0.73 C ATOM 1487 CG TYR A 101 -9.773 3.083 8.225 1.00 0.63 C ATOM 1488 CD1 TYR A 101 -8.396 2.883 8.040 1.00 1.95 C ATOM 1489 CD2 TYR A 101 -10.262 4.382 8.457 1.00 1.43 C ATOM 1490 CE1 TYR A 101 -7.495 3.957 8.100 1.00 2.06 C ATOM 1491 CE2 TYR A 101 -9.375 5.476 8.456 1.00 1.50 C ATOM 1492 CZ TYR A 101 -7.985 5.264 8.308 1.00 1.00 C ATOM 1493 OH TYR A 101 -7.127 6.320 8.386 1.00 1.33 O ATOM 0 H TYR A 101 -10.441 1.645 10.576 1.00 0.61 H new ATOM 0 HA TYR A 101 -12.437 2.811 8.963 1.00 0.60 H new ATOM 0 HB2 TYR A 101 -10.124 0.986 8.281 1.00 0.73 H new ATOM 0 HB3 TYR A 101 -11.094 1.849 7.104 1.00 0.73 H new ATOM 0 HD1 TYR A 101 -8.024 1.887 7.849 1.00 1.95 H new ATOM 0 HD2 TYR A 101 -11.315 4.540 8.635 1.00 1.43 H new ATOM 0 HE1 TYR A 101 -6.435 3.785 7.988 1.00 2.06 H new ATOM 0 HE2 TYR A 101 -9.758 6.480 8.569 1.00 1.50 H new ATOM 0 HH TYR A 101 -7.636 7.145 8.531 1.00 1.33 H new ATOM 1503 N LYS A 102 -13.872 1.032 8.044 1.00 0.88 N ATOM 1504 CA LYS A 102 -14.850 0.078 7.589 1.00 1.20 C ATOM 1505 C LYS A 102 -14.319 -0.575 6.319 1.00 0.95 C ATOM 1506 O LYS A 102 -14.497 -1.769 6.126 1.00 1.13 O ATOM 1507 CB LYS A 102 -16.189 0.799 7.360 1.00 1.67 C ATOM 1508 CG LYS A 102 -16.857 1.261 8.672 1.00 1.96 C ATOM 1509 CD LYS A 102 -16.779 2.769 8.984 1.00 2.84 C ATOM 1510 CE LYS A 102 -15.361 3.215 9.358 1.00 2.91 C ATOM 1511 NZ LYS A 102 -15.300 4.052 10.574 1.00 3.76 N ATOM 0 H LYS A 102 -14.085 1.991 7.769 1.00 0.88 H new ATOM 0 HA LYS A 102 -15.024 -0.703 8.329 1.00 1.20 H new ATOM 0 HB2 LYS A 102 -16.024 1.665 6.718 1.00 1.67 H new ATOM 0 HB3 LYS A 102 -16.868 0.132 6.828 1.00 1.67 H new ATOM 0 HG2 LYS A 102 -17.907 0.972 8.641 1.00 1.96 H new ATOM 0 HG3 LYS A 102 -16.400 0.717 9.499 1.00 1.96 H new ATOM 0 HD2 LYS A 102 -17.118 3.335 8.116 1.00 2.84 H new ATOM 0 HD3 LYS A 102 -17.459 3.004 9.803 1.00 2.84 H new ATOM 0 HE2 LYS A 102 -14.739 2.332 9.505 1.00 2.91 H new ATOM 0 HE3 LYS A 102 -14.933 3.771 8.524 1.00 2.91 H new ATOM 0 HZ1 LYS A 102 -15.038 5.024 10.313 1.00 3.76 H new ATOM 0 HZ2 LYS A 102 -16.230 4.057 11.039 1.00 3.76 H new ATOM 0 HZ3 LYS A 102 -14.589 3.665 11.227 1.00 3.76 H new ATOM 1525 N SER A 103 -13.669 0.212 5.459 1.00 0.72 N ATOM 1526 CA SER A 103 -13.215 -0.226 4.149 1.00 0.63 C ATOM 1527 C SER A 103 -12.241 0.823 3.621 1.00 0.75 C ATOM 1528 O SER A 103 -12.556 2.006 3.755 1.00 1.14 O ATOM 1529 CB SER A 103 -14.442 -0.296 3.230 1.00 0.84 C ATOM 1530 OG SER A 103 -15.187 0.906 3.318 1.00 1.38 O ATOM 0 H SER A 103 -13.443 1.186 5.662 1.00 0.72 H new ATOM 0 HA SER A 103 -12.726 -1.199 4.194 1.00 0.63 H new ATOM 0 HB2 SER A 103 -14.125 -0.462 2.200 1.00 0.84 H new ATOM 0 HB3 SER A 103 -15.069 -1.142 3.511 1.00 0.84 H new ATOM 0 HG SER A 103 -14.594 1.640 3.584 1.00 1.38 H new ATOM 1536 N VAL A 104 -11.104 0.444 3.029 1.00 0.61 N ATOM 1537 CA VAL A 104 -10.155 1.413 2.469 1.00 0.87 C ATOM 1538 C VAL A 104 -9.567 0.874 1.172 1.00 0.76 C ATOM 1539 O VAL A 104 -9.441 -0.340 1.004 1.00 0.70 O ATOM 1540 CB VAL A 104 -9.040 1.721 3.486 1.00 1.19 C ATOM 1541 CG1 VAL A 104 -7.908 2.577 2.910 1.00 1.94 C ATOM 1542 CG2 VAL A 104 -9.620 2.501 4.663 1.00 2.26 C ATOM 0 H VAL A 104 -10.817 -0.529 2.925 1.00 0.61 H new ATOM 0 HA VAL A 104 -10.683 2.341 2.252 1.00 0.87 H new ATOM 0 HB VAL A 104 -8.634 0.753 3.781 1.00 1.19 H new ATOM 0 HG11 VAL A 104 -7.158 2.755 3.681 1.00 1.94 H new ATOM 0 HG12 VAL A 104 -7.449 2.056 2.070 1.00 1.94 H new ATOM 0 HG13 VAL A 104 -8.311 3.531 2.569 1.00 1.94 H new ATOM 0 HG21 VAL A 104 -8.829 2.718 5.381 1.00 2.26 H new ATOM 0 HG22 VAL A 104 -10.050 3.436 4.303 1.00 2.26 H new ATOM 0 HG23 VAL A 104 -10.396 1.907 5.146 1.00 2.26 H new ATOM 1552 N ALA A 105 -9.150 1.776 0.280 1.00 0.80 N ATOM 1553 CA ALA A 105 -8.448 1.386 -0.923 1.00 0.75 C ATOM 1554 C ALA A 105 -6.966 1.237 -0.599 1.00 0.73 C ATOM 1555 O ALA A 105 -6.264 2.225 -0.382 1.00 0.82 O ATOM 1556 CB ALA A 105 -8.666 2.416 -2.029 1.00 0.78 C ATOM 0 H ALA A 105 -9.292 2.781 0.378 1.00 0.80 H new ATOM 0 HA ALA A 105 -8.835 0.433 -1.283 1.00 0.75 H new ATOM 0 HB1 ALA A 105 -8.130 2.106 -2.926 1.00 0.78 H new ATOM 0 HB2 ALA A 105 -9.731 2.492 -2.250 1.00 0.78 H new ATOM 0 HB3 ALA A 105 -8.293 3.386 -1.701 1.00 0.78 H new ATOM 1562 N ILE A 106 -6.496 -0.008 -0.558 1.00 0.68 N ATOM 1563 CA ILE A 106 -5.126 -0.366 -0.257 1.00 0.73 C ATOM 1564 C ILE A 106 -4.619 -1.175 -1.458 1.00 0.66 C ATOM 1565 O ILE A 106 -5.125 -2.262 -1.732 1.00 0.86 O ATOM 1566 CB ILE A 106 -5.084 -1.055 1.129 1.00 1.08 C ATOM 1567 CG1 ILE A 106 -3.700 -1.082 1.791 1.00 2.30 C ATOM 1568 CG2 ILE A 106 -5.708 -2.453 1.176 1.00 1.14 C ATOM 1569 CD1 ILE A 106 -2.586 -1.721 0.968 1.00 2.86 C ATOM 0 H ILE A 106 -7.086 -0.819 -0.741 1.00 0.68 H new ATOM 0 HA ILE A 106 -4.442 0.476 -0.146 1.00 0.73 H new ATOM 0 HB ILE A 106 -5.720 -0.395 1.718 1.00 1.08 H new ATOM 0 HG12 ILE A 106 -3.411 -0.058 2.027 1.00 2.30 H new ATOM 0 HG13 ILE A 106 -3.780 -1.617 2.737 1.00 2.30 H new ATOM 0 HG21 ILE A 106 -5.630 -2.852 2.187 1.00 1.14 H new ATOM 0 HG22 ILE A 106 -6.758 -2.393 0.889 1.00 1.14 H new ATOM 0 HG23 ILE A 106 -5.180 -3.110 0.485 1.00 1.14 H new ATOM 0 HD11 ILE A 106 -1.653 -1.686 1.530 1.00 2.86 H new ATOM 0 HD12 ILE A 106 -2.842 -2.758 0.753 1.00 2.86 H new ATOM 0 HD13 ILE A 106 -2.466 -1.175 0.032 1.00 2.86 H new ATOM 1581 N PRO A 107 -3.691 -0.614 -2.250 1.00 0.67 N ATOM 1582 CA PRO A 107 -3.164 -1.274 -3.430 1.00 0.72 C ATOM 1583 C PRO A 107 -2.163 -2.357 -3.018 1.00 0.73 C ATOM 1584 O PRO A 107 -2.086 -2.756 -1.859 1.00 0.83 O ATOM 1585 CB PRO A 107 -2.540 -0.142 -4.258 1.00 0.89 C ATOM 1586 CG PRO A 107 -2.051 0.833 -3.190 1.00 0.99 C ATOM 1587 CD PRO A 107 -3.132 0.723 -2.116 1.00 0.92 C ATOM 0 HA PRO A 107 -3.918 -1.799 -4.017 1.00 0.72 H new ATOM 0 HB2 PRO A 107 -1.722 -0.502 -4.882 1.00 0.89 H new ATOM 0 HB3 PRO A 107 -3.269 0.320 -4.924 1.00 0.89 H new ATOM 0 HG2 PRO A 107 -1.069 0.555 -2.807 1.00 0.99 H new ATOM 0 HG3 PRO A 107 -1.966 1.848 -3.577 1.00 0.99 H new ATOM 0 HD2 PRO A 107 -2.712 0.873 -1.122 1.00 0.92 H new ATOM 0 HD3 PRO A 107 -3.900 1.484 -2.255 1.00 0.92 H new ATOM 1595 N LEU A 108 -1.385 -2.864 -3.971 1.00 0.81 N ATOM 1596 CA LEU A 108 -0.464 -3.957 -3.736 1.00 0.89 C ATOM 1597 C LEU A 108 0.931 -3.354 -3.744 1.00 0.94 C ATOM 1598 O LEU A 108 1.317 -2.705 -4.713 1.00 0.98 O ATOM 1599 CB LEU A 108 -0.646 -5.006 -4.836 1.00 1.08 C ATOM 1600 CG LEU A 108 -2.051 -5.632 -4.789 1.00 1.26 C ATOM 1601 CD1 LEU A 108 -2.396 -6.171 -6.177 1.00 1.78 C ATOM 1602 CD2 LEU A 108 -2.126 -6.733 -3.727 1.00 1.58 C ATOM 0 H LEU A 108 -1.381 -2.521 -4.932 1.00 0.81 H new ATOM 0 HA LEU A 108 -0.639 -4.458 -2.784 1.00 0.89 H new ATOM 0 HB2 LEU A 108 -0.484 -4.545 -5.810 1.00 1.08 H new ATOM 0 HB3 LEU A 108 0.106 -5.787 -4.724 1.00 1.08 H new ATOM 0 HG LEU A 108 -2.781 -4.872 -4.509 1.00 1.26 H new ATOM 0 HD11 LEU A 108 -3.390 -6.618 -6.157 1.00 1.78 H new ATOM 0 HD12 LEU A 108 -2.379 -5.354 -6.899 1.00 1.78 H new ATOM 0 HD13 LEU A 108 -1.665 -6.926 -6.466 1.00 1.78 H new ATOM 0 HD21 LEU A 108 -3.129 -7.159 -3.715 1.00 1.58 H new ATOM 0 HD22 LEU A 108 -1.403 -7.514 -3.961 1.00 1.58 H new ATOM 0 HD23 LEU A 108 -1.899 -6.310 -2.748 1.00 1.58 H new ATOM 1614 N LEU A 109 1.666 -3.538 -2.650 1.00 1.17 N ATOM 1615 CA LEU A 109 2.988 -2.962 -2.457 1.00 1.40 C ATOM 1616 C LEU A 109 3.990 -4.105 -2.360 1.00 1.52 C ATOM 1617 O LEU A 109 3.593 -5.264 -2.275 1.00 1.63 O ATOM 1618 CB LEU A 109 3.025 -2.073 -1.201 1.00 1.75 C ATOM 1619 CG LEU A 109 1.967 -0.953 -1.217 1.00 1.69 C ATOM 1620 CD1 LEU A 109 0.693 -1.364 -0.475 1.00 2.43 C ATOM 1621 CD2 LEU A 109 2.504 0.300 -0.524 1.00 1.89 C ATOM 0 H LEU A 109 1.351 -4.102 -1.861 1.00 1.17 H new ATOM 0 HA LEU A 109 3.244 -2.320 -3.300 1.00 1.40 H new ATOM 0 HB2 LEU A 109 2.872 -2.695 -0.319 1.00 1.75 H new ATOM 0 HB3 LEU A 109 4.015 -1.627 -1.109 1.00 1.75 H new ATOM 0 HG LEU A 109 1.740 -0.758 -2.265 1.00 1.69 H new ATOM 0 HD11 LEU A 109 -0.028 -0.547 -0.509 1.00 2.43 H new ATOM 0 HD12 LEU A 109 0.264 -2.246 -0.950 1.00 2.43 H new ATOM 0 HD13 LEU A 109 0.934 -1.592 0.563 1.00 2.43 H new ATOM 0 HD21 LEU A 109 1.744 1.081 -0.544 1.00 1.89 H new ATOM 0 HD22 LEU A 109 2.755 0.065 0.510 1.00 1.89 H new ATOM 0 HD23 LEU A 109 3.397 0.649 -1.043 1.00 1.89 H new ATOM 1633 N SER A 110 5.286 -3.791 -2.352 1.00 1.68 N ATOM 1634 CA SER A 110 6.361 -4.778 -2.310 1.00 1.90 C ATOM 1635 C SER A 110 6.108 -5.929 -3.287 1.00 1.98 C ATOM 1636 O SER A 110 5.925 -7.079 -2.902 1.00 2.50 O ATOM 1637 CB SER A 110 6.581 -5.263 -0.874 1.00 2.37 C ATOM 1638 OG SER A 110 6.538 -4.155 0.005 1.00 3.23 O ATOM 0 H SER A 110 5.622 -2.828 -2.375 1.00 1.68 H new ATOM 0 HA SER A 110 7.284 -4.300 -2.639 1.00 1.90 H new ATOM 0 HB2 SER A 110 5.814 -5.988 -0.601 1.00 2.37 H new ATOM 0 HB3 SER A 110 7.543 -5.770 -0.792 1.00 2.37 H new ATOM 0 HG SER A 110 5.926 -4.348 0.745 1.00 3.23 H new ATOM 1644 N THR A 111 6.060 -5.605 -4.576 1.00 1.74 N ATOM 1645 CA THR A 111 5.919 -6.541 -5.661 1.00 1.97 C ATOM 1646 C THR A 111 6.598 -5.828 -6.828 1.00 2.04 C ATOM 1647 O THR A 111 6.165 -4.735 -7.186 1.00 2.79 O ATOM 1648 CB THR A 111 4.414 -6.760 -5.856 1.00 2.02 C ATOM 1649 OG1 THR A 111 3.979 -7.780 -4.986 1.00 3.35 O ATOM 1650 CG2 THR A 111 4.065 -7.138 -7.286 1.00 1.46 C ATOM 0 H THR A 111 6.122 -4.638 -4.895 1.00 1.74 H new ATOM 0 HA THR A 111 6.363 -7.527 -5.521 1.00 1.97 H new ATOM 0 HB THR A 111 3.911 -5.819 -5.633 1.00 2.02 H new ATOM 0 HG1 THR A 111 4.598 -7.850 -4.229 1.00 3.35 H new ATOM 0 HG21 THR A 111 2.988 -7.282 -7.372 1.00 1.46 H new ATOM 0 HG22 THR A 111 4.379 -6.341 -7.960 1.00 1.46 H new ATOM 0 HG23 THR A 111 4.577 -8.062 -7.553 1.00 1.46 H new ATOM 1658 N GLY A 112 7.698 -6.370 -7.359 1.00 2.40 N ATOM 1659 CA GLY A 112 8.465 -5.726 -8.422 1.00 2.63 C ATOM 1660 C GLY A 112 9.223 -4.492 -7.921 1.00 2.22 C ATOM 1661 O GLY A 112 10.427 -4.551 -7.700 1.00 3.29 O ATOM 0 H GLY A 112 8.079 -7.268 -7.062 1.00 2.40 H new ATOM 0 HA2 GLY A 112 9.174 -6.441 -8.841 1.00 2.63 H new ATOM 0 HA3 GLY A 112 7.792 -5.435 -9.228 1.00 2.63 H new ATOM 1665 N ILE A 113 8.512 -3.382 -7.714 1.00 1.43 N ATOM 1666 CA ILE A 113 9.020 -2.076 -7.293 1.00 1.55 C ATOM 1667 C ILE A 113 10.054 -2.181 -6.165 1.00 1.28 C ATOM 1668 O ILE A 113 11.056 -1.468 -6.181 1.00 1.41 O ATOM 1669 CB ILE A 113 7.805 -1.191 -6.934 1.00 2.57 C ATOM 1670 CG1 ILE A 113 7.111 -0.728 -8.226 1.00 2.40 C ATOM 1671 CG2 ILE A 113 8.194 0.033 -6.104 1.00 3.94 C ATOM 1672 CD1 ILE A 113 5.650 -0.327 -7.998 1.00 4.52 C ATOM 0 H ILE A 113 7.500 -3.371 -7.845 1.00 1.43 H new ATOM 0 HA ILE A 113 9.571 -1.610 -8.109 1.00 1.55 H new ATOM 0 HB ILE A 113 7.131 -1.796 -6.328 1.00 2.57 H new ATOM 0 HG12 ILE A 113 7.656 0.119 -8.643 1.00 2.40 H new ATOM 0 HG13 ILE A 113 7.153 -1.529 -8.964 1.00 2.40 H new ATOM 0 HG21 ILE A 113 7.303 0.619 -5.880 1.00 3.94 H new ATOM 0 HG22 ILE A 113 8.658 -0.291 -5.173 1.00 3.94 H new ATOM 0 HG23 ILE A 113 8.899 0.645 -6.667 1.00 3.94 H new ATOM 0 HD11 ILE A 113 5.208 -0.009 -8.942 1.00 4.52 H new ATOM 0 HD12 ILE A 113 5.095 -1.180 -7.607 1.00 4.52 H new ATOM 0 HD13 ILE A 113 5.605 0.493 -7.282 1.00 4.52 H new ATOM 1684 N PHE A 114 9.827 -3.061 -5.185 1.00 1.21 N ATOM 1685 CA PHE A 114 10.757 -3.291 -4.092 1.00 1.04 C ATOM 1686 C PHE A 114 11.235 -4.740 -4.113 1.00 0.91 C ATOM 1687 O PHE A 114 12.442 -4.988 -4.086 1.00 0.74 O ATOM 1688 CB PHE A 114 10.144 -2.858 -2.754 1.00 1.50 C ATOM 1689 CG PHE A 114 9.620 -1.440 -2.716 1.00 1.52 C ATOM 1690 CD1 PHE A 114 8.375 -1.168 -2.121 1.00 2.33 C ATOM 1691 CD2 PHE A 114 10.390 -0.387 -3.242 1.00 2.60 C ATOM 1692 CE1 PHE A 114 7.889 0.148 -2.086 1.00 2.42 C ATOM 1693 CE2 PHE A 114 9.903 0.929 -3.212 1.00 2.66 C ATOM 1694 CZ PHE A 114 8.651 1.196 -2.636 1.00 1.77 C ATOM 0 H PHE A 114 8.985 -3.634 -5.134 1.00 1.21 H new ATOM 0 HA PHE A 114 11.643 -2.670 -4.222 1.00 1.04 H new ATOM 0 HB2 PHE A 114 9.327 -3.537 -2.510 1.00 1.50 H new ATOM 0 HB3 PHE A 114 10.897 -2.971 -1.974 1.00 1.50 H new ATOM 0 HD1 PHE A 114 7.794 -1.971 -1.692 1.00 2.33 H new ATOM 0 HD2 PHE A 114 11.360 -0.592 -3.671 1.00 2.60 H new ATOM 0 HE1 PHE A 114 6.929 0.357 -1.637 1.00 2.42 H new ATOM 0 HE2 PHE A 114 10.489 1.733 -3.631 1.00 2.66 H new ATOM 0 HZ PHE A 114 8.272 2.207 -2.615 1.00 1.77 H new ATOM 1704 N SER A 115 10.322 -5.712 -4.182 1.00 1.12 N ATOM 1705 CA SER A 115 10.702 -7.117 -4.190 1.00 1.13 C ATOM 1706 C SER A 115 11.629 -7.509 -5.350 1.00 1.02 C ATOM 1707 O SER A 115 12.251 -8.566 -5.316 1.00 1.12 O ATOM 1708 CB SER A 115 9.456 -7.998 -4.173 1.00 1.47 C ATOM 1709 OG SER A 115 8.706 -7.718 -3.015 1.00 3.24 O ATOM 0 H SER A 115 9.317 -5.547 -4.233 1.00 1.12 H new ATOM 0 HA SER A 115 11.284 -7.280 -3.283 1.00 1.13 H new ATOM 0 HB2 SER A 115 8.854 -7.815 -5.063 1.00 1.47 H new ATOM 0 HB3 SER A 115 9.740 -9.050 -4.191 1.00 1.47 H new ATOM 0 HG SER A 115 8.116 -8.475 -2.816 1.00 3.24 H new ATOM 1715 N GLY A 116 11.749 -6.676 -6.381 1.00 1.13 N ATOM 1716 CA GLY A 116 12.654 -6.906 -7.488 1.00 1.19 C ATOM 1717 C GLY A 116 11.972 -7.748 -8.551 1.00 1.44 C ATOM 1718 O GLY A 116 11.524 -7.225 -9.568 1.00 2.32 O ATOM 0 H GLY A 116 11.211 -5.814 -6.466 1.00 1.13 H new ATOM 0 HA2 GLY A 116 12.970 -5.954 -7.914 1.00 1.19 H new ATOM 0 HA3 GLY A 116 13.553 -7.411 -7.134 1.00 1.19 H new ATOM 1722 N ASN A 117 11.925 -9.062 -8.342 1.00 1.39 N ATOM 1723 CA ASN A 117 11.388 -9.997 -9.324 1.00 1.77 C ATOM 1724 C ASN A 117 11.035 -11.305 -8.606 1.00 1.71 C ATOM 1725 O ASN A 117 11.329 -11.426 -7.418 1.00 2.50 O ATOM 1726 CB ASN A 117 12.438 -10.218 -10.429 1.00 2.42 C ATOM 1727 CG ASN A 117 11.793 -10.464 -11.787 1.00 3.19 C ATOM 1728 OD1 ASN A 117 10.749 -11.096 -11.883 1.00 3.65 O ATOM 1729 ND2 ASN A 117 12.395 -9.971 -12.860 1.00 3.83 N ATOM 0 H ASN A 117 12.258 -9.507 -7.487 1.00 1.39 H new ATOM 0 HA ASN A 117 10.485 -9.605 -9.792 1.00 1.77 H new ATOM 0 HB2 ASN A 117 13.090 -9.346 -10.490 1.00 2.42 H new ATOM 0 HB3 ASN A 117 13.067 -11.069 -10.167 1.00 2.42 H new ATOM 0 HD21 ASN A 117 11.989 -10.116 -13.784 1.00 3.83 H new ATOM 0 HD22 ASN A 117 13.264 -9.447 -12.761 1.00 3.83 H new ATOM 1736 N LYS A 118 10.447 -12.283 -9.310 1.00 2.16 N ATOM 1737 CA LYS A 118 9.935 -13.563 -8.805 1.00 2.45 C ATOM 1738 C LYS A 118 8.724 -13.364 -7.911 1.00 2.28 C ATOM 1739 O LYS A 118 7.628 -13.781 -8.276 1.00 3.28 O ATOM 1740 CB LYS A 118 10.998 -14.404 -8.082 1.00 3.00 C ATOM 1741 CG LYS A 118 12.008 -15.009 -9.053 1.00 3.58 C ATOM 1742 CD LYS A 118 13.124 -15.671 -8.242 1.00 3.92 C ATOM 1743 CE LYS A 118 14.155 -16.288 -9.187 1.00 4.62 C ATOM 1744 NZ LYS A 118 15.472 -16.431 -8.531 1.00 4.81 N ATOM 0 H LYS A 118 10.308 -12.193 -10.316 1.00 2.16 H new ATOM 0 HA LYS A 118 9.635 -14.126 -9.689 1.00 2.45 H new ATOM 0 HB2 LYS A 118 11.521 -13.781 -7.357 1.00 3.00 H new ATOM 0 HB3 LYS A 118 10.510 -15.202 -7.523 1.00 3.00 H new ATOM 0 HG2 LYS A 118 11.522 -15.742 -9.697 1.00 3.58 H new ATOM 0 HG3 LYS A 118 12.419 -14.236 -9.703 1.00 3.58 H new ATOM 0 HD2 LYS A 118 13.603 -14.934 -7.597 1.00 3.92 H new ATOM 0 HD3 LYS A 118 12.707 -16.440 -7.592 1.00 3.92 H new ATOM 0 HE2 LYS A 118 13.806 -17.265 -9.521 1.00 4.62 H new ATOM 0 HE3 LYS A 118 14.255 -15.664 -10.075 1.00 4.62 H new ATOM 0 HZ1 LYS A 118 16.149 -16.852 -9.199 1.00 4.81 H new ATOM 0 HZ2 LYS A 118 15.816 -15.495 -8.234 1.00 4.81 H new ATOM 0 HZ3 LYS A 118 15.380 -17.046 -7.697 1.00 4.81 H new ATOM 1758 N ASP A 119 8.939 -12.790 -6.734 1.00 1.90 N ATOM 1759 CA ASP A 119 7.899 -12.487 -5.773 1.00 1.69 C ATOM 1760 C ASP A 119 6.834 -11.608 -6.432 1.00 1.18 C ATOM 1761 O ASP A 119 7.166 -10.731 -7.234 1.00 1.58 O ATOM 1762 CB ASP A 119 8.554 -11.781 -4.589 1.00 2.32 C ATOM 1763 CG ASP A 119 7.516 -11.465 -3.532 1.00 2.72 C ATOM 1764 OD1 ASP A 119 7.424 -10.275 -3.151 1.00 3.71 O ATOM 1765 OD2 ASP A 119 6.817 -12.436 -3.161 1.00 3.20 O ATOM 0 H ASP A 119 9.869 -12.517 -6.418 1.00 1.90 H new ATOM 0 HA ASP A 119 7.405 -13.394 -5.424 1.00 1.69 H new ATOM 0 HB2 ASP A 119 9.335 -12.413 -4.166 1.00 2.32 H new ATOM 0 HB3 ASP A 119 9.034 -10.862 -4.924 1.00 2.32 H new ATOM 1770 N ARG A 120 5.553 -11.860 -6.143 1.00 0.96 N ATOM 1771 CA ARG A 120 4.461 -11.195 -6.847 1.00 1.11 C ATOM 1772 C ARG A 120 3.393 -10.738 -5.866 1.00 0.98 C ATOM 1773 O ARG A 120 3.494 -10.924 -4.655 1.00 0.93 O ATOM 1774 CB ARG A 120 3.833 -12.094 -7.932 1.00 1.73 C ATOM 1775 CG ARG A 120 4.812 -12.831 -8.846 1.00 2.10 C ATOM 1776 CD ARG A 120 4.079 -13.182 -10.148 1.00 2.87 C ATOM 1777 NE ARG A 120 4.706 -14.303 -10.861 1.00 3.32 N ATOM 1778 CZ ARG A 120 4.384 -15.595 -10.704 1.00 3.73 C ATOM 1779 NH1 ARG A 120 4.932 -16.522 -11.489 1.00 4.39 N ATOM 1780 NH2 ARG A 120 3.506 -15.960 -9.768 1.00 4.30 N ATOM 0 H ARG A 120 5.251 -12.520 -5.426 1.00 0.96 H new ATOM 0 HA ARG A 120 4.887 -10.325 -7.347 1.00 1.11 H new ATOM 0 HB2 ARG A 120 3.200 -12.833 -7.441 1.00 1.73 H new ATOM 0 HB3 ARG A 120 3.182 -11.478 -8.553 1.00 1.73 H new ATOM 0 HG2 ARG A 120 5.681 -12.207 -9.055 1.00 2.10 H new ATOM 0 HG3 ARG A 120 5.179 -13.735 -8.360 1.00 2.10 H new ATOM 0 HD2 ARG A 120 3.043 -13.433 -9.922 1.00 2.87 H new ATOM 0 HD3 ARG A 120 4.060 -12.307 -10.798 1.00 2.87 H new ATOM 0 HE ARG A 120 5.445 -14.081 -11.528 1.00 3.32 H new ATOM 0 HH11 ARG A 120 5.598 -16.249 -12.212 1.00 4.39 H new ATOM 0 HH12 ARG A 120 4.685 -17.504 -11.367 1.00 4.39 H new ATOM 0 HH21 ARG A 120 3.077 -15.255 -9.169 1.00 4.30 H new ATOM 0 HH22 ARG A 120 3.264 -16.944 -9.652 1.00 4.30 H new ATOM 1794 N LEU A 121 2.299 -10.214 -6.411 1.00 0.99 N ATOM 1795 CA LEU A 121 1.219 -9.671 -5.624 1.00 0.92 C ATOM 1796 C LEU A 121 0.512 -10.775 -4.885 1.00 0.88 C ATOM 1797 O LEU A 121 0.085 -10.578 -3.774 1.00 0.85 O ATOM 1798 CB LEU A 121 0.239 -8.864 -6.473 1.00 1.02 C ATOM 1799 CG LEU A 121 -0.444 -9.615 -7.636 1.00 1.05 C ATOM 1800 CD1 LEU A 121 -1.814 -10.168 -7.233 1.00 1.53 C ATOM 1801 CD2 LEU A 121 -0.649 -8.672 -8.824 1.00 1.68 C ATOM 0 H LEU A 121 2.145 -10.158 -7.418 1.00 0.99 H new ATOM 0 HA LEU A 121 1.650 -8.980 -4.899 1.00 0.92 H new ATOM 0 HB2 LEU A 121 -0.538 -8.472 -5.817 1.00 1.02 H new ATOM 0 HB3 LEU A 121 0.771 -8.007 -6.886 1.00 1.02 H new ATOM 0 HG LEU A 121 0.211 -10.444 -7.905 1.00 1.05 H new ATOM 0 HD11 LEU A 121 -2.260 -10.689 -8.080 1.00 1.53 H new ATOM 0 HD12 LEU A 121 -1.696 -10.863 -6.401 1.00 1.53 H new ATOM 0 HD13 LEU A 121 -2.463 -9.347 -6.930 1.00 1.53 H new ATOM 0 HD21 LEU A 121 -1.131 -9.212 -9.638 1.00 1.68 H new ATOM 0 HD22 LEU A 121 -1.279 -7.836 -8.520 1.00 1.68 H new ATOM 0 HD23 LEU A 121 0.317 -8.295 -9.161 1.00 1.68 H new ATOM 1813 N THR A 122 0.415 -11.963 -5.447 1.00 0.91 N ATOM 1814 CA THR A 122 -0.107 -13.129 -4.785 1.00 0.91 C ATOM 1815 C THR A 122 0.599 -13.387 -3.464 1.00 0.91 C ATOM 1816 O THR A 122 -0.021 -13.901 -2.539 1.00 0.94 O ATOM 1817 CB THR A 122 0.070 -14.266 -5.787 1.00 0.98 C ATOM 1818 OG1 THR A 122 -0.739 -13.973 -6.906 1.00 1.05 O ATOM 1819 CG2 THR A 122 -0.296 -15.627 -5.207 1.00 1.06 C ATOM 0 H THR A 122 0.708 -12.143 -6.407 1.00 0.91 H new ATOM 0 HA THR A 122 -1.155 -13.013 -4.510 1.00 0.91 H new ATOM 0 HB THR A 122 1.122 -14.334 -6.064 1.00 0.98 H new ATOM 0 HG1 THR A 122 -0.647 -14.686 -7.572 1.00 1.05 H new ATOM 0 HG21 THR A 122 -0.150 -16.397 -5.965 1.00 1.06 H new ATOM 0 HG22 THR A 122 0.340 -15.839 -4.348 1.00 1.06 H new ATOM 0 HG23 THR A 122 -1.340 -15.620 -4.893 1.00 1.06 H new ATOM 1827 N GLN A 123 1.877 -13.026 -3.359 1.00 0.93 N ATOM 1828 CA GLN A 123 2.572 -13.179 -2.097 1.00 0.96 C ATOM 1829 C GLN A 123 2.227 -12.007 -1.188 1.00 0.90 C ATOM 1830 O GLN A 123 1.755 -12.195 -0.068 1.00 0.90 O ATOM 1831 CB GLN A 123 4.079 -13.260 -2.326 1.00 1.06 C ATOM 1832 CG GLN A 123 4.464 -14.540 -3.084 1.00 1.40 C ATOM 1833 CD GLN A 123 5.304 -15.468 -2.217 1.00 1.15 C ATOM 1834 OE1 GLN A 123 4.853 -16.537 -1.822 1.00 2.04 O ATOM 1835 NE2 GLN A 123 6.530 -15.065 -1.917 1.00 2.05 N ATOM 0 H GLN A 123 2.436 -12.635 -4.118 1.00 0.93 H new ATOM 0 HA GLN A 123 2.255 -14.106 -1.619 1.00 0.96 H new ATOM 0 HB2 GLN A 123 4.410 -12.388 -2.890 1.00 1.06 H new ATOM 0 HB3 GLN A 123 4.596 -13.234 -1.367 1.00 1.06 H new ATOM 0 HG2 GLN A 123 3.561 -15.059 -3.407 1.00 1.40 H new ATOM 0 HG3 GLN A 123 5.020 -14.278 -3.984 1.00 1.40 H new ATOM 0 HE21 GLN A 123 6.871 -14.169 -2.264 1.00 2.05 H new ATOM 0 HE22 GLN A 123 7.132 -15.651 -1.339 1.00 2.05 H new ATOM 1844 N SER A 124 2.442 -10.779 -1.663 1.00 0.91 N ATOM 1845 CA SER A 124 2.322 -9.621 -0.788 1.00 0.94 C ATOM 1846 C SER A 124 0.877 -9.429 -0.320 1.00 0.94 C ATOM 1847 O SER A 124 0.639 -8.954 0.787 1.00 0.98 O ATOM 1848 CB SER A 124 2.868 -8.383 -1.490 1.00 1.05 C ATOM 1849 OG SER A 124 3.173 -7.412 -0.516 1.00 1.84 O ATOM 0 H SER A 124 2.695 -10.567 -2.628 1.00 0.91 H new ATOM 0 HA SER A 124 2.919 -9.790 0.108 1.00 0.94 H new ATOM 0 HB2 SER A 124 3.759 -8.636 -2.064 1.00 1.05 H new ATOM 0 HB3 SER A 124 2.134 -7.994 -2.196 1.00 1.05 H new ATOM 0 HG SER A 124 3.374 -6.560 -0.956 1.00 1.84 H new ATOM 1855 N LEU A 125 -0.086 -9.840 -1.147 1.00 0.91 N ATOM 1856 CA LEU A 125 -1.510 -9.826 -0.864 1.00 0.96 C ATOM 1857 C LEU A 125 -1.802 -10.840 0.213 1.00 0.93 C ATOM 1858 O LEU A 125 -2.666 -10.621 1.049 1.00 0.88 O ATOM 1859 CB LEU A 125 -2.384 -10.073 -2.117 1.00 0.97 C ATOM 1860 CG LEU A 125 -2.796 -11.536 -2.384 1.00 1.39 C ATOM 1861 CD1 LEU A 125 -3.896 -12.064 -1.450 1.00 1.15 C ATOM 1862 CD2 LEU A 125 -3.337 -11.630 -3.806 1.00 2.65 C ATOM 0 H LEU A 125 0.123 -10.208 -2.075 1.00 0.91 H new ATOM 0 HA LEU A 125 -1.774 -8.826 -0.519 1.00 0.96 H new ATOM 0 HB2 LEU A 125 -3.290 -9.473 -2.026 1.00 0.97 H new ATOM 0 HB3 LEU A 125 -1.844 -9.705 -2.989 1.00 0.97 H new ATOM 0 HG LEU A 125 -1.904 -12.139 -2.215 1.00 1.39 H new ATOM 0 HD11 LEU A 125 -4.125 -13.098 -1.706 1.00 1.15 H new ATOM 0 HD12 LEU A 125 -3.551 -12.014 -0.417 1.00 1.15 H new ATOM 0 HD13 LEU A 125 -4.793 -11.455 -1.563 1.00 1.15 H new ATOM 0 HD21 LEU A 125 -3.634 -12.658 -4.015 1.00 2.65 H new ATOM 0 HD22 LEU A 125 -4.201 -10.974 -3.911 1.00 2.65 H new ATOM 0 HD23 LEU A 125 -2.563 -11.326 -4.511 1.00 2.65 H new ATOM 1874 N ASN A 126 -1.093 -11.964 0.191 1.00 0.96 N ATOM 1875 CA ASN A 126 -1.251 -12.978 1.216 1.00 1.01 C ATOM 1876 C ASN A 126 -0.880 -12.390 2.568 1.00 1.06 C ATOM 1877 O ASN A 126 -1.609 -12.553 3.541 1.00 1.12 O ATOM 1878 CB ASN A 126 -0.407 -14.220 0.887 1.00 0.98 C ATOM 1879 CG ASN A 126 -1.156 -15.507 1.195 1.00 1.11 C ATOM 1880 OD1 ASN A 126 -2.339 -15.630 0.880 1.00 1.34 O ATOM 1881 ND2 ASN A 126 -0.487 -16.502 1.760 1.00 2.04 N ATOM 0 H ASN A 126 -0.405 -12.191 -0.527 1.00 0.96 H new ATOM 0 HA ASN A 126 -2.292 -13.299 1.252 1.00 1.01 H new ATOM 0 HB2 ASN A 126 -0.131 -14.203 -0.167 1.00 0.98 H new ATOM 0 HB3 ASN A 126 0.520 -14.192 1.460 1.00 0.98 H new ATOM 0 HD21 ASN A 126 -0.952 -17.391 1.942 1.00 2.04 H new ATOM 0 HD22 ASN A 126 0.493 -16.378 2.013 1.00 2.04 H new ATOM 1888 N HIS A 127 0.241 -11.675 2.625 1.00 1.05 N ATOM 1889 CA HIS A 127 0.721 -11.097 3.874 1.00 1.11 C ATOM 1890 C HIS A 127 -0.172 -9.932 4.288 1.00 1.12 C ATOM 1891 O HIS A 127 -0.407 -9.715 5.473 1.00 1.15 O ATOM 1892 CB HIS A 127 2.176 -10.648 3.717 1.00 1.12 C ATOM 1893 CG HIS A 127 3.119 -11.793 3.467 1.00 1.17 C ATOM 1894 ND1 HIS A 127 3.470 -12.775 4.368 1.00 1.40 N ATOM 1895 CD2 HIS A 127 3.797 -12.034 2.303 1.00 1.08 C ATOM 1896 CE1 HIS A 127 4.340 -13.594 3.748 1.00 1.42 C ATOM 1897 NE2 HIS A 127 4.556 -13.190 2.486 1.00 1.21 N ATOM 0 H HIS A 127 0.834 -11.483 1.818 1.00 1.05 H new ATOM 0 HA HIS A 127 0.680 -11.851 4.660 1.00 1.11 H new ATOM 0 HB2 HIS A 127 2.245 -9.940 2.891 1.00 1.12 H new ATOM 0 HB3 HIS A 127 2.487 -10.118 4.618 1.00 1.12 H new ATOM 0 HD2 HIS A 127 3.752 -11.437 1.404 1.00 1.08 H new ATOM 0 HE1 HIS A 127 4.801 -14.458 4.203 1.00 1.42 H new ATOM 0 HE2 HIS A 127 5.157 -13.640 1.796 1.00 1.21 H new ATOM 1905 N LEU A 128 -0.702 -9.206 3.308 1.00 1.11 N ATOM 1906 CA LEU A 128 -1.561 -8.055 3.506 1.00 1.11 C ATOM 1907 C LEU A 128 -2.841 -8.513 4.159 1.00 1.17 C ATOM 1908 O LEU A 128 -3.250 -7.970 5.175 1.00 1.26 O ATOM 1909 CB LEU A 128 -1.784 -7.414 2.129 1.00 1.05 C ATOM 1910 CG LEU A 128 -2.939 -6.425 1.934 1.00 0.87 C ATOM 1911 CD1 LEU A 128 -2.607 -5.552 0.721 1.00 2.10 C ATOM 1912 CD2 LEU A 128 -4.269 -7.126 1.636 1.00 1.51 C ATOM 0 H LEU A 128 -0.537 -9.414 2.323 1.00 1.11 H new ATOM 0 HA LEU A 128 -1.120 -7.308 4.166 1.00 1.11 H new ATOM 0 HB2 LEU A 128 -0.863 -6.899 1.856 1.00 1.05 H new ATOM 0 HB3 LEU A 128 -1.922 -8.222 1.411 1.00 1.05 H new ATOM 0 HG LEU A 128 -3.049 -5.854 2.856 1.00 0.87 H new ATOM 0 HD11 LEU A 128 -3.412 -4.836 0.556 1.00 2.10 H new ATOM 0 HD12 LEU A 128 -1.676 -5.015 0.903 1.00 2.10 H new ATOM 0 HD13 LEU A 128 -2.496 -6.182 -0.161 1.00 2.10 H new ATOM 0 HD21 LEU A 128 -5.053 -6.380 1.507 1.00 1.51 H new ATOM 0 HD22 LEU A 128 -4.174 -7.714 0.723 1.00 1.51 H new ATOM 0 HD23 LEU A 128 -4.528 -7.784 2.466 1.00 1.51 H new ATOM 1924 N LEU A 129 -3.461 -9.536 3.589 1.00 1.15 N ATOM 1925 CA LEU A 129 -4.722 -10.061 4.052 1.00 1.19 C ATOM 1926 C LEU A 129 -4.487 -10.818 5.345 1.00 1.12 C ATOM 1927 O LEU A 129 -5.390 -10.902 6.154 1.00 1.14 O ATOM 1928 CB LEU A 129 -5.339 -10.944 2.958 1.00 1.21 C ATOM 1929 CG LEU A 129 -6.866 -10.870 2.838 1.00 1.84 C ATOM 1930 CD1 LEU A 129 -7.619 -11.444 4.031 1.00 3.08 C ATOM 1931 CD2 LEU A 129 -7.353 -9.441 2.569 1.00 2.69 C ATOM 0 H LEU A 129 -3.089 -10.028 2.777 1.00 1.15 H new ATOM 0 HA LEU A 129 -5.431 -9.259 4.257 1.00 1.19 H new ATOM 0 HB2 LEU A 129 -4.902 -10.664 1.999 1.00 1.21 H new ATOM 0 HB3 LEU A 129 -5.056 -11.979 3.148 1.00 1.21 H new ATOM 0 HG LEU A 129 -7.096 -11.503 1.981 1.00 1.84 H new ATOM 0 HD11 LEU A 129 -8.692 -11.351 3.863 1.00 3.08 H new ATOM 0 HD12 LEU A 129 -7.360 -12.496 4.153 1.00 3.08 H new ATOM 0 HD13 LEU A 129 -7.344 -10.896 4.932 1.00 3.08 H new ATOM 0 HD21 LEU A 129 -8.440 -9.436 2.491 1.00 2.69 H new ATOM 0 HD22 LEU A 129 -7.045 -8.791 3.388 1.00 2.69 H new ATOM 0 HD23 LEU A 129 -6.921 -9.079 1.636 1.00 2.69 H new ATOM 1943 N THR A 130 -3.272 -11.311 5.598 1.00 1.11 N ATOM 1944 CA THR A 130 -2.989 -11.908 6.895 1.00 1.15 C ATOM 1945 C THR A 130 -3.036 -10.820 7.958 1.00 1.16 C ATOM 1946 O THR A 130 -3.704 -10.967 8.979 1.00 1.15 O ATOM 1947 CB THR A 130 -1.642 -12.640 6.863 1.00 1.18 C ATOM 1948 OG1 THR A 130 -1.766 -13.790 6.058 1.00 1.18 O ATOM 1949 CG2 THR A 130 -1.168 -13.093 8.245 1.00 1.31 C ATOM 0 H THR A 130 -2.492 -11.308 4.940 1.00 1.11 H new ATOM 0 HA THR A 130 -3.743 -12.656 7.141 1.00 1.15 H new ATOM 0 HB THR A 130 -0.911 -11.933 6.470 1.00 1.18 H new ATOM 0 HG1 THR A 130 -1.716 -13.535 5.113 1.00 1.18 H new ATOM 0 HG21 THR A 130 -0.210 -13.604 8.152 1.00 1.31 H new ATOM 0 HG22 THR A 130 -1.054 -12.224 8.893 1.00 1.31 H new ATOM 0 HG23 THR A 130 -1.902 -13.774 8.676 1.00 1.31 H new ATOM 1957 N ALA A 131 -2.344 -9.707 7.726 1.00 1.21 N ATOM 1958 CA ALA A 131 -2.309 -8.661 8.740 1.00 1.28 C ATOM 1959 C ALA A 131 -3.683 -8.019 8.907 1.00 1.32 C ATOM 1960 O ALA A 131 -4.095 -7.669 10.010 1.00 1.35 O ATOM 1961 CB ALA A 131 -1.256 -7.624 8.359 1.00 1.37 C ATOM 0 H ALA A 131 -1.817 -9.511 6.875 1.00 1.21 H new ATOM 0 HA ALA A 131 -2.039 -9.100 9.700 1.00 1.28 H new ATOM 0 HB1 ALA A 131 -1.227 -6.840 9.116 1.00 1.37 H new ATOM 0 HB2 ALA A 131 -0.279 -8.104 8.296 1.00 1.37 H new ATOM 0 HB3 ALA A 131 -1.509 -7.187 7.393 1.00 1.37 H new ATOM 1967 N LEU A 132 -4.397 -7.864 7.798 1.00 1.34 N ATOM 1968 CA LEU A 132 -5.700 -7.233 7.777 1.00 1.38 C ATOM 1969 C LEU A 132 -6.797 -8.232 8.136 1.00 1.31 C ATOM 1970 O LEU A 132 -7.903 -7.801 8.423 1.00 1.33 O ATOM 1971 CB LEU A 132 -5.933 -6.568 6.411 1.00 1.50 C ATOM 1972 CG LEU A 132 -5.301 -5.167 6.354 1.00 2.01 C ATOM 1973 CD1 LEU A 132 -4.618 -4.906 5.012 1.00 2.71 C ATOM 1974 CD2 LEU A 132 -6.392 -4.115 6.569 1.00 2.12 C ATOM 0 H LEU A 132 -4.079 -8.178 6.881 1.00 1.34 H new ATOM 0 HA LEU A 132 -5.735 -6.452 8.536 1.00 1.38 H new ATOM 0 HB2 LEU A 132 -5.510 -7.192 5.624 1.00 1.50 H new ATOM 0 HB3 LEU A 132 -7.003 -6.494 6.218 1.00 1.50 H new ATOM 0 HG LEU A 132 -4.545 -5.108 7.137 1.00 2.01 H new ATOM 0 HD11 LEU A 132 -4.184 -3.906 5.013 1.00 2.71 H new ATOM 0 HD12 LEU A 132 -3.830 -5.643 4.855 1.00 2.71 H new ATOM 0 HD13 LEU A 132 -5.352 -4.983 4.209 1.00 2.71 H new ATOM 0 HD21 LEU A 132 -5.950 -3.119 6.530 1.00 2.12 H new ATOM 0 HD22 LEU A 132 -7.146 -4.208 5.788 1.00 2.12 H new ATOM 0 HD23 LEU A 132 -6.857 -4.267 7.543 1.00 2.12 H new ATOM 1986 N ASP A 133 -6.520 -9.539 8.191 1.00 1.25 N ATOM 1987 CA ASP A 133 -7.504 -10.532 8.645 1.00 1.17 C ATOM 1988 C ASP A 133 -7.782 -10.341 10.125 1.00 1.07 C ATOM 1989 O ASP A 133 -8.856 -10.682 10.619 1.00 1.04 O ATOM 1990 CB ASP A 133 -7.046 -11.986 8.408 1.00 1.18 C ATOM 1991 CG ASP A 133 -7.784 -12.652 7.248 1.00 1.67 C ATOM 1992 OD1 ASP A 133 -8.952 -12.261 7.017 1.00 2.08 O ATOM 1993 OD2 ASP A 133 -7.198 -13.578 6.646 1.00 2.80 O ATOM 0 H ASP A 133 -5.619 -9.937 7.926 1.00 1.25 H new ATOM 0 HA ASP A 133 -8.406 -10.370 8.055 1.00 1.17 H new ATOM 0 HB2 ASP A 133 -5.975 -11.998 8.207 1.00 1.18 H new ATOM 0 HB3 ASP A 133 -7.206 -12.566 9.317 1.00 1.18 H new ATOM 1998 N THR A 134 -6.808 -9.759 10.831 1.00 1.09 N ATOM 1999 CA THR A 134 -6.939 -9.346 12.212 1.00 1.05 C ATOM 2000 C THR A 134 -8.082 -8.329 12.390 1.00 0.93 C ATOM 2001 O THR A 134 -8.488 -8.070 13.522 1.00 0.92 O ATOM 2002 CB THR A 134 -5.546 -8.913 12.714 1.00 1.16 C ATOM 2003 OG1 THR A 134 -5.160 -9.727 13.801 1.00 1.46 O ATOM 2004 CG2 THR A 134 -5.445 -7.453 13.133 1.00 1.49 C ATOM 0 H THR A 134 -5.887 -9.562 10.439 1.00 1.09 H new ATOM 0 HA THR A 134 -7.254 -10.168 12.855 1.00 1.05 H new ATOM 0 HB THR A 134 -4.878 -9.034 11.861 1.00 1.16 H new ATOM 0 HG1 THR A 134 -4.274 -9.452 14.117 1.00 1.46 H new ATOM 0 HG21 THR A 134 -4.431 -7.241 13.471 1.00 1.49 H new ATOM 0 HG22 THR A 134 -5.686 -6.813 12.284 1.00 1.49 H new ATOM 0 HG23 THR A 134 -6.146 -7.258 13.945 1.00 1.49 H new ATOM 2012 N THR A 135 -8.662 -7.788 11.309 1.00 0.92 N ATOM 2013 CA THR A 135 -9.857 -6.974 11.382 1.00 0.85 C ATOM 2014 C THR A 135 -10.945 -7.527 10.448 1.00 1.01 C ATOM 2015 O THR A 135 -10.715 -8.280 9.503 1.00 1.84 O ATOM 2016 CB THR A 135 -9.513 -5.497 11.114 1.00 1.08 C ATOM 2017 OG1 THR A 135 -9.262 -5.248 9.750 1.00 1.35 O ATOM 2018 CG2 THR A 135 -8.280 -5.037 11.899 1.00 1.40 C ATOM 0 H THR A 135 -8.305 -7.910 10.362 1.00 0.92 H new ATOM 0 HA THR A 135 -10.270 -7.019 12.390 1.00 0.85 H new ATOM 0 HB THR A 135 -10.391 -4.939 11.440 1.00 1.08 H new ATOM 0 HG1 THR A 135 -8.842 -6.036 9.345 1.00 1.35 H new ATOM 0 HG21 THR A 135 -8.077 -3.989 11.677 1.00 1.40 H new ATOM 0 HG22 THR A 135 -8.465 -5.152 12.967 1.00 1.40 H new ATOM 0 HG23 THR A 135 -7.420 -5.642 11.612 1.00 1.40 H new ATOM 2026 N ASP A 136 -12.185 -7.163 10.742 1.00 0.97 N ATOM 2027 CA ASP A 136 -13.368 -7.335 9.920 1.00 1.08 C ATOM 2028 C ASP A 136 -13.698 -5.964 9.334 1.00 1.30 C ATOM 2029 O ASP A 136 -14.734 -5.373 9.617 1.00 1.63 O ATOM 2030 CB ASP A 136 -14.483 -7.942 10.790 1.00 1.25 C ATOM 2031 CG ASP A 136 -15.352 -8.905 9.994 1.00 2.93 C ATOM 2032 OD1 ASP A 136 -16.531 -8.587 9.738 1.00 4.00 O ATOM 2033 OD2 ASP A 136 -14.796 -9.988 9.697 1.00 4.25 O ATOM 0 H ASP A 136 -12.403 -6.706 11.627 1.00 0.97 H new ATOM 0 HA ASP A 136 -13.229 -8.026 9.089 1.00 1.08 H new ATOM 0 HB2 ASP A 136 -14.040 -8.466 11.637 1.00 1.25 H new ATOM 0 HB3 ASP A 136 -15.103 -7.143 11.198 1.00 1.25 H new ATOM 2038 N ALA A 137 -12.748 -5.422 8.565 1.00 1.37 N ATOM 2039 CA ALA A 137 -12.918 -4.184 7.837 1.00 1.70 C ATOM 2040 C ALA A 137 -13.229 -4.571 6.393 1.00 1.54 C ATOM 2041 O ALA A 137 -14.134 -5.362 6.147 1.00 1.56 O ATOM 2042 CB ALA A 137 -11.647 -3.337 8.002 1.00 2.05 C ATOM 0 H ALA A 137 -11.829 -5.846 8.436 1.00 1.37 H new ATOM 0 HA ALA A 137 -13.737 -3.567 8.207 1.00 1.70 H new ATOM 0 HB1 ALA A 137 -11.761 -2.400 7.458 1.00 2.05 H new ATOM 0 HB2 ALA A 137 -11.485 -3.125 9.059 1.00 2.05 H new ATOM 0 HB3 ALA A 137 -10.791 -3.884 7.607 1.00 2.05 H new ATOM 2048 N ASP A 138 -12.451 -4.069 5.439 1.00 1.50 N ATOM 2049 CA ASP A 138 -12.627 -4.331 4.021 1.00 1.39 C ATOM 2050 C ASP A 138 -11.430 -3.738 3.294 1.00 1.47 C ATOM 2051 O ASP A 138 -10.817 -2.783 3.779 1.00 1.68 O ATOM 2052 CB ASP A 138 -13.923 -3.723 3.475 1.00 1.23 C ATOM 2053 CG ASP A 138 -14.585 -4.721 2.539 1.00 1.14 C ATOM 2054 OD1 ASP A 138 -14.468 -4.531 1.310 1.00 1.81 O ATOM 2055 OD2 ASP A 138 -15.167 -5.691 3.075 1.00 2.28 O ATOM 0 H ASP A 138 -11.662 -3.454 5.639 1.00 1.50 H new ATOM 0 HA ASP A 138 -12.696 -5.407 3.863 1.00 1.39 H new ATOM 0 HB2 ASP A 138 -14.596 -3.473 4.295 1.00 1.23 H new ATOM 0 HB3 ASP A 138 -13.709 -2.795 2.945 1.00 1.23 H new ATOM 2060 N VAL A 139 -11.075 -4.312 2.151 1.00 1.36 N ATOM 2061 CA VAL A 139 -9.850 -4.002 1.440 1.00 1.35 C ATOM 2062 C VAL A 139 -10.204 -3.810 -0.028 1.00 1.20 C ATOM 2063 O VAL A 139 -10.863 -4.667 -0.620 1.00 1.12 O ATOM 2064 CB VAL A 139 -8.869 -5.159 1.697 1.00 1.32 C ATOM 2065 CG1 VAL A 139 -7.860 -5.377 0.564 1.00 2.86 C ATOM 2066 CG2 VAL A 139 -8.106 -4.918 3.003 1.00 1.80 C ATOM 0 H VAL A 139 -11.645 -5.019 1.687 1.00 1.36 H new ATOM 0 HA VAL A 139 -9.369 -3.083 1.776 1.00 1.35 H new ATOM 0 HB VAL A 139 -9.479 -6.060 1.760 1.00 1.32 H new ATOM 0 HG11 VAL A 139 -7.203 -6.209 0.817 1.00 2.86 H new ATOM 0 HG12 VAL A 139 -8.393 -5.604 -0.359 1.00 2.86 H new ATOM 0 HG13 VAL A 139 -7.266 -4.474 0.427 1.00 2.86 H new ATOM 0 HG21 VAL A 139 -7.414 -5.742 3.177 1.00 1.80 H new ATOM 0 HG22 VAL A 139 -7.548 -3.984 2.932 1.00 1.80 H new ATOM 0 HG23 VAL A 139 -8.812 -4.856 3.831 1.00 1.80 H new ATOM 2076 N ALA A 140 -9.744 -2.713 -0.637 1.00 1.24 N ATOM 2077 CA ALA A 140 -10.085 -2.425 -2.020 1.00 1.10 C ATOM 2078 C ALA A 140 -8.826 -2.172 -2.845 1.00 1.21 C ATOM 2079 O ALA A 140 -8.076 -1.242 -2.567 1.00 1.50 O ATOM 2080 CB ALA A 140 -11.098 -1.276 -2.101 1.00 1.01 C ATOM 0 H ALA A 140 -9.141 -2.020 -0.194 1.00 1.24 H new ATOM 0 HA ALA A 140 -10.571 -3.298 -2.456 1.00 1.10 H new ATOM 0 HB1 ALA A 140 -11.339 -1.077 -3.145 1.00 1.01 H new ATOM 0 HB2 ALA A 140 -12.006 -1.553 -1.565 1.00 1.01 H new ATOM 0 HB3 ALA A 140 -10.669 -0.381 -1.650 1.00 1.01 H new ATOM 2086 N ILE A 141 -8.577 -2.998 -3.860 1.00 1.11 N ATOM 2087 CA ILE A 141 -7.447 -2.817 -4.753 1.00 1.27 C ATOM 2088 C ILE A 141 -7.951 -1.982 -5.922 1.00 1.20 C ATOM 2089 O ILE A 141 -8.904 -2.374 -6.580 1.00 1.21 O ATOM 2090 CB ILE A 141 -6.924 -4.181 -5.233 1.00 1.50 C ATOM 2091 CG1 ILE A 141 -6.391 -4.983 -4.032 1.00 1.79 C ATOM 2092 CG2 ILE A 141 -5.811 -3.985 -6.277 1.00 2.22 C ATOM 2093 CD1 ILE A 141 -6.052 -6.426 -4.413 1.00 2.36 C ATOM 0 H ILE A 141 -9.155 -3.809 -4.081 1.00 1.11 H new ATOM 0 HA ILE A 141 -6.618 -2.318 -4.252 1.00 1.27 H new ATOM 0 HB ILE A 141 -7.741 -4.734 -5.696 1.00 1.50 H new ATOM 0 HG12 ILE A 141 -5.501 -4.494 -3.635 1.00 1.79 H new ATOM 0 HG13 ILE A 141 -7.136 -4.983 -3.236 1.00 1.79 H new ATOM 0 HG21 ILE A 141 -5.449 -4.958 -6.609 1.00 2.22 H new ATOM 0 HG22 ILE A 141 -6.206 -3.434 -7.131 1.00 2.22 H new ATOM 0 HG23 ILE A 141 -4.989 -3.424 -5.832 1.00 2.22 H new ATOM 0 HD11 ILE A 141 -5.680 -6.956 -3.536 1.00 2.36 H new ATOM 0 HD12 ILE A 141 -6.947 -6.924 -4.785 1.00 2.36 H new ATOM 0 HD13 ILE A 141 -5.287 -6.427 -5.190 1.00 2.36 H new ATOM 2105 N TYR A 142 -7.285 -0.871 -6.206 1.00 1.28 N ATOM 2106 CA TYR A 142 -7.532 0.008 -7.338 1.00 1.35 C ATOM 2107 C TYR A 142 -6.375 -0.149 -8.317 1.00 1.43 C ATOM 2108 O TYR A 142 -5.293 0.365 -8.048 1.00 1.77 O ATOM 2109 CB TYR A 142 -7.614 1.467 -6.865 1.00 1.38 C ATOM 2110 CG TYR A 142 -9.021 1.951 -6.602 1.00 2.19 C ATOM 2111 CD1 TYR A 142 -9.609 2.877 -7.484 1.00 3.99 C ATOM 2112 CD2 TYR A 142 -9.736 1.486 -5.482 1.00 3.21 C ATOM 2113 CE1 TYR A 142 -10.914 3.340 -7.252 1.00 5.16 C ATOM 2114 CE2 TYR A 142 -11.039 1.956 -5.239 1.00 4.70 C ATOM 2115 CZ TYR A 142 -11.630 2.891 -6.122 1.00 5.24 C ATOM 2116 OH TYR A 142 -12.883 3.371 -5.903 1.00 6.80 O ATOM 0 H TYR A 142 -6.517 -0.542 -5.621 1.00 1.28 H new ATOM 0 HA TYR A 142 -8.476 -0.253 -7.816 1.00 1.35 H new ATOM 0 HB2 TYR A 142 -7.027 1.576 -5.953 1.00 1.38 H new ATOM 0 HB3 TYR A 142 -7.155 2.108 -7.618 1.00 1.38 H new ATOM 0 HD1 TYR A 142 -9.055 3.232 -8.341 1.00 3.99 H new ATOM 0 HD2 TYR A 142 -9.285 0.770 -4.811 1.00 3.21 H new ATOM 0 HE1 TYR A 142 -11.369 4.039 -7.938 1.00 5.16 H new ATOM 0 HE2 TYR A 142 -11.589 1.604 -4.379 1.00 4.70 H new ATOM 0 HH TYR A 142 -13.187 3.098 -5.012 1.00 6.80 H new ATOM 2126 N CYS A 143 -6.595 -0.835 -9.442 1.00 1.23 N ATOM 2127 CA CYS A 143 -5.615 -0.946 -10.516 1.00 1.37 C ATOM 2128 C CYS A 143 -6.370 -1.184 -11.817 1.00 1.45 C ATOM 2129 O CYS A 143 -7.074 -2.185 -11.942 1.00 1.28 O ATOM 2130 CB CYS A 143 -4.674 -2.144 -10.299 1.00 1.39 C ATOM 2131 SG CYS A 143 -3.310 -1.763 -9.167 1.00 1.87 S ATOM 0 H CYS A 143 -7.466 -1.331 -9.631 1.00 1.23 H new ATOM 0 HA CYS A 143 -5.022 -0.031 -10.541 1.00 1.37 H new ATOM 0 HB2 CYS A 143 -5.246 -2.983 -9.903 1.00 1.39 H new ATOM 0 HB3 CYS A 143 -4.267 -2.460 -11.259 1.00 1.39 H new ATOM 0 HG CYS A 143 -3.664 -0.800 -8.369 1.00 1.87 H new ATOM 2137 N ARG A 144 -6.221 -0.310 -12.812 1.00 1.93 N ATOM 2138 CA ARG A 144 -6.727 -0.628 -14.139 1.00 2.15 C ATOM 2139 C ARG A 144 -5.838 -1.694 -14.775 1.00 2.06 C ATOM 2140 O ARG A 144 -4.623 -1.524 -14.791 1.00 2.10 O ATOM 2141 CB ARG A 144 -6.834 0.648 -14.994 1.00 2.75 C ATOM 2142 CG ARG A 144 -5.507 1.294 -15.432 1.00 2.59 C ATOM 2143 CD ARG A 144 -5.029 0.773 -16.797 1.00 3.88 C ATOM 2144 NE ARG A 144 -3.919 1.576 -17.323 1.00 3.75 N ATOM 2145 CZ ARG A 144 -3.236 1.289 -18.439 1.00 4.61 C ATOM 2146 NH1 ARG A 144 -2.324 2.144 -18.901 1.00 5.01 N ATOM 2147 NH2 ARG A 144 -3.473 0.151 -19.098 1.00 5.60 N ATOM 0 H ARG A 144 -5.766 0.599 -12.726 1.00 1.93 H new ATOM 0 HA ARG A 144 -7.735 -1.037 -14.069 1.00 2.15 H new ATOM 0 HB2 ARG A 144 -7.410 0.412 -15.889 1.00 2.75 H new ATOM 0 HB3 ARG A 144 -7.405 1.388 -14.433 1.00 2.75 H new ATOM 0 HG2 ARG A 144 -5.631 2.376 -15.481 1.00 2.59 H new ATOM 0 HG3 ARG A 144 -4.743 1.094 -14.681 1.00 2.59 H new ATOM 0 HD2 ARG A 144 -4.714 -0.266 -16.700 1.00 3.88 H new ATOM 0 HD3 ARG A 144 -5.858 0.790 -17.504 1.00 3.88 H new ATOM 0 HE ARG A 144 -3.649 2.411 -16.803 1.00 3.75 H new ATOM 0 HH11 ARG A 144 -2.146 3.017 -18.405 1.00 5.01 H new ATOM 0 HH12 ARG A 144 -1.804 1.925 -19.751 1.00 5.01 H new ATOM 0 HH21 ARG A 144 -4.176 -0.502 -18.752 1.00 5.60 H new ATOM 0 HH22 ARG A 144 -2.951 -0.065 -19.948 1.00 5.60 H new ATOM 2161 N ASP A 145 -6.444 -2.750 -15.326 1.00 2.01 N ATOM 2162 CA ASP A 145 -5.805 -3.673 -16.277 1.00 2.06 C ATOM 2163 C ASP A 145 -6.811 -4.709 -16.793 1.00 2.02 C ATOM 2164 O ASP A 145 -6.674 -5.240 -17.889 1.00 2.23 O ATOM 2165 CB ASP A 145 -4.614 -4.439 -15.674 1.00 1.99 C ATOM 2166 CG ASP A 145 -3.595 -4.834 -16.749 1.00 2.30 C ATOM 2167 OD1 ASP A 145 -2.903 -5.858 -16.536 1.00 2.20 O ATOM 2168 OD2 ASP A 145 -3.506 -4.103 -17.760 1.00 3.45 O ATOM 0 H ASP A 145 -7.413 -2.995 -15.121 1.00 2.01 H new ATOM 0 HA ASP A 145 -5.439 -3.042 -17.087 1.00 2.06 H new ATOM 0 HB2 ASP A 145 -4.127 -3.821 -14.920 1.00 1.99 H new ATOM 0 HB3 ASP A 145 -4.975 -5.334 -15.168 1.00 1.99 H new ATOM 2173 N LYS A 146 -7.816 -5.045 -15.974 1.00 1.86 N ATOM 2174 CA LYS A 146 -8.902 -5.978 -16.276 1.00 1.84 C ATOM 2175 C LYS A 146 -8.466 -7.421 -16.087 1.00 1.72 C ATOM 2176 O LYS A 146 -9.107 -8.138 -15.325 1.00 1.58 O ATOM 2177 CB LYS A 146 -9.535 -5.728 -17.657 1.00 2.00 C ATOM 2178 CG LYS A 146 -10.982 -6.238 -17.701 1.00 2.11 C ATOM 2179 CD LYS A 146 -11.923 -5.285 -16.947 1.00 2.52 C ATOM 2180 CE LYS A 146 -12.853 -6.041 -15.995 1.00 3.55 C ATOM 2181 NZ LYS A 146 -13.903 -6.802 -16.701 1.00 4.26 N ATOM 0 H LYS A 146 -7.895 -4.652 -15.036 1.00 1.86 H new ATOM 0 HA LYS A 146 -9.693 -5.786 -15.551 1.00 1.84 H new ATOM 0 HB2 LYS A 146 -9.515 -4.662 -17.882 1.00 2.00 H new ATOM 0 HB3 LYS A 146 -8.946 -6.228 -18.426 1.00 2.00 H new ATOM 0 HG2 LYS A 146 -11.307 -6.332 -18.737 1.00 2.11 H new ATOM 0 HG3 LYS A 146 -11.035 -7.233 -17.259 1.00 2.11 H new ATOM 0 HD2 LYS A 146 -11.333 -4.563 -16.382 1.00 2.52 H new ATOM 0 HD3 LYS A 146 -12.518 -4.719 -17.664 1.00 2.52 H new ATOM 0 HE2 LYS A 146 -12.263 -6.726 -15.386 1.00 3.55 H new ATOM 0 HE3 LYS A 146 -13.322 -5.331 -15.313 1.00 3.55 H new ATOM 0 HZ1 LYS A 146 -14.502 -7.293 -16.007 1.00 4.26 H new ATOM 0 HZ2 LYS A 146 -14.487 -6.149 -17.262 1.00 4.26 H new ATOM 0 HZ3 LYS A 146 -13.461 -7.500 -17.332 1.00 4.26 H new ATOM 2195 N LYS A 147 -7.345 -7.846 -16.674 1.00 1.75 N ATOM 2196 CA LYS A 147 -6.762 -9.137 -16.308 1.00 1.57 C ATOM 2197 C LYS A 147 -6.565 -9.236 -14.799 1.00 1.41 C ATOM 2198 O LYS A 147 -6.728 -10.313 -14.229 1.00 1.30 O ATOM 2199 CB LYS A 147 -5.436 -9.389 -17.040 1.00 1.60 C ATOM 2200 CG LYS A 147 -5.661 -10.234 -18.299 1.00 1.84 C ATOM 2201 CD LYS A 147 -4.323 -10.614 -18.941 1.00 2.08 C ATOM 2202 CE LYS A 147 -4.567 -11.588 -20.099 1.00 2.93 C ATOM 2203 NZ LYS A 147 -3.300 -12.051 -20.706 1.00 3.25 N ATOM 0 H LYS A 147 -6.833 -7.328 -17.389 1.00 1.75 H new ATOM 0 HA LYS A 147 -7.465 -9.910 -16.619 1.00 1.57 H new ATOM 0 HB2 LYS A 147 -4.979 -8.438 -17.312 1.00 1.60 H new ATOM 0 HB3 LYS A 147 -4.739 -9.898 -16.374 1.00 1.60 H new ATOM 0 HG2 LYS A 147 -6.217 -11.136 -18.043 1.00 1.84 H new ATOM 0 HG3 LYS A 147 -6.268 -9.677 -19.013 1.00 1.84 H new ATOM 0 HD2 LYS A 147 -3.816 -9.720 -19.305 1.00 2.08 H new ATOM 0 HD3 LYS A 147 -3.669 -11.072 -18.199 1.00 2.08 H new ATOM 0 HE2 LYS A 147 -5.132 -12.447 -19.738 1.00 2.93 H new ATOM 0 HE3 LYS A 147 -5.178 -11.102 -20.860 1.00 2.93 H new ATOM 0 HZ1 LYS A 147 -3.508 -12.708 -21.485 1.00 3.25 H new ATOM 0 HZ2 LYS A 147 -2.772 -11.234 -21.074 1.00 3.25 H new ATOM 0 HZ3 LYS A 147 -2.728 -12.537 -19.987 1.00 3.25 H new ATOM 2217 N TRP A 148 -6.222 -8.130 -14.138 1.00 1.43 N ATOM 2218 CA TRP A 148 -6.005 -8.173 -12.699 1.00 1.33 C ATOM 2219 C TRP A 148 -7.332 -8.331 -11.991 1.00 1.28 C ATOM 2220 O TRP A 148 -7.397 -8.972 -10.957 1.00 1.17 O ATOM 2221 CB TRP A 148 -5.297 -6.917 -12.179 1.00 1.46 C ATOM 2222 CG TRP A 148 -3.879 -6.723 -12.610 1.00 1.97 C ATOM 2223 CD1 TRP A 148 -3.410 -6.957 -13.851 1.00 2.94 C ATOM 2224 CD2 TRP A 148 -2.744 -6.196 -11.853 1.00 2.59 C ATOM 2225 NE1 TRP A 148 -2.102 -6.546 -13.946 1.00 4.24 N ATOM 2226 CE2 TRP A 148 -1.622 -6.101 -12.732 1.00 4.08 C ATOM 2227 CE3 TRP A 148 -2.553 -5.766 -10.522 1.00 2.29 C ATOM 2228 CZ2 TRP A 148 -0.378 -5.608 -12.311 1.00 5.14 C ATOM 2229 CZ3 TRP A 148 -1.306 -5.275 -10.086 1.00 3.22 C ATOM 2230 CH2 TRP A 148 -0.220 -5.198 -10.977 1.00 4.65 C ATOM 0 H TRP A 148 -6.092 -7.214 -14.568 1.00 1.43 H new ATOM 0 HA TRP A 148 -5.358 -9.026 -12.492 1.00 1.33 H new ATOM 0 HB2 TRP A 148 -5.872 -6.046 -12.495 1.00 1.46 H new ATOM 0 HB3 TRP A 148 -5.322 -6.938 -11.089 1.00 1.46 H new ATOM 0 HD1 TRP A 148 -3.979 -7.402 -14.654 1.00 2.94 H new ATOM 0 HE1 TRP A 148 -1.555 -6.567 -14.807 1.00 4.24 H new ATOM 0 HE3 TRP A 148 -3.377 -5.814 -9.826 1.00 2.29 H new ATOM 0 HZ2 TRP A 148 0.448 -5.545 -13.004 1.00 5.14 H new ATOM 0 HZ3 TRP A 148 -1.183 -4.956 -9.062 1.00 3.22 H new ATOM 0 HH2 TRP A 148 0.734 -4.824 -10.636 1.00 4.65 H new ATOM 2241 N GLU A 149 -8.398 -7.760 -12.539 1.00 1.37 N ATOM 2242 CA GLU A 149 -9.710 -7.889 -11.923 1.00 1.38 C ATOM 2243 C GLU A 149 -10.169 -9.337 -12.002 1.00 1.26 C ATOM 2244 O GLU A 149 -10.762 -9.854 -11.058 1.00 1.18 O ATOM 2245 CB GLU A 149 -10.729 -6.953 -12.574 1.00 1.62 C ATOM 2246 CG GLU A 149 -10.257 -5.499 -12.525 1.00 1.75 C ATOM 2247 CD GLU A 149 -11.425 -4.551 -12.776 1.00 2.39 C ATOM 2248 OE1 GLU A 149 -11.818 -3.824 -11.836 1.00 3.41 O ATOM 2249 OE2 GLU A 149 -11.912 -4.567 -13.929 1.00 2.68 O ATOM 0 H GLU A 149 -8.380 -7.210 -13.398 1.00 1.37 H new ATOM 0 HA GLU A 149 -9.633 -7.597 -10.876 1.00 1.38 H new ATOM 0 HB2 GLU A 149 -10.890 -7.251 -13.610 1.00 1.62 H new ATOM 0 HB3 GLU A 149 -11.688 -7.044 -12.064 1.00 1.62 H new ATOM 0 HG2 GLU A 149 -9.811 -5.287 -11.553 1.00 1.75 H new ATOM 0 HG3 GLU A 149 -9.481 -5.337 -13.273 1.00 1.75 H new ATOM 2256 N MET A 150 -9.872 -10.004 -13.119 1.00 1.32 N ATOM 2257 CA MET A 150 -10.210 -11.405 -13.299 1.00 1.32 C ATOM 2258 C MET A 150 -9.465 -12.224 -12.254 1.00 1.12 C ATOM 2259 O MET A 150 -10.073 -12.929 -11.454 1.00 1.07 O ATOM 2260 CB MET A 150 -9.864 -11.872 -14.724 1.00 1.50 C ATOM 2261 CG MET A 150 -11.120 -12.289 -15.491 1.00 1.90 C ATOM 2262 SD MET A 150 -12.212 -10.930 -15.990 1.00 2.94 S ATOM 2263 CE MET A 150 -13.487 -11.914 -16.822 1.00 3.31 C ATOM 0 H MET A 150 -9.393 -9.585 -13.916 1.00 1.32 H new ATOM 0 HA MET A 150 -11.283 -11.545 -13.168 1.00 1.32 H new ATOM 0 HB2 MET A 150 -9.358 -11.069 -15.260 1.00 1.50 H new ATOM 0 HB3 MET A 150 -9.169 -12.710 -14.676 1.00 1.50 H new ATOM 0 HG2 MET A 150 -10.816 -12.835 -16.384 1.00 1.90 H new ATOM 0 HG3 MET A 150 -11.690 -12.982 -14.872 1.00 1.90 H new ATOM 0 HE1 MET A 150 -14.264 -11.253 -17.207 1.00 3.31 H new ATOM 0 HE2 MET A 150 -13.039 -12.466 -17.648 1.00 3.31 H new ATOM 0 HE3 MET A 150 -13.926 -12.615 -16.112 1.00 3.31 H new ATOM 2273 N THR A 151 -8.138 -12.136 -12.255 1.00 1.08 N ATOM 2274 CA THR A 151 -7.304 -13.002 -11.448 1.00 0.99 C ATOM 2275 C THR A 151 -7.517 -12.750 -9.968 1.00 0.82 C ATOM 2276 O THR A 151 -7.598 -13.686 -9.179 1.00 0.82 O ATOM 2277 CB THR A 151 -5.845 -12.773 -11.840 1.00 1.11 C ATOM 2278 OG1 THR A 151 -5.697 -12.837 -13.244 1.00 1.28 O ATOM 2279 CG2 THR A 151 -4.952 -13.846 -11.238 1.00 1.16 C ATOM 0 H THR A 151 -7.618 -11.462 -12.816 1.00 1.08 H new ATOM 0 HA THR A 151 -7.575 -14.042 -11.632 1.00 0.99 H new ATOM 0 HB THR A 151 -5.558 -11.789 -11.468 1.00 1.11 H new ATOM 0 HG1 THR A 151 -5.925 -11.969 -13.637 1.00 1.28 H new ATOM 0 HG21 THR A 151 -3.918 -13.664 -11.529 1.00 1.16 H new ATOM 0 HG22 THR A 151 -5.033 -13.819 -10.151 1.00 1.16 H new ATOM 0 HG23 THR A 151 -5.264 -14.825 -11.601 1.00 1.16 H new ATOM 2287 N LEU A 152 -7.632 -11.485 -9.584 1.00 0.80 N ATOM 2288 CA LEU A 152 -7.914 -11.139 -8.210 1.00 0.74 C ATOM 2289 C LEU A 152 -9.279 -11.688 -7.840 1.00 0.66 C ATOM 2290 O LEU A 152 -9.431 -12.167 -6.729 1.00 0.66 O ATOM 2291 CB LEU A 152 -7.849 -9.624 -7.981 1.00 0.90 C ATOM 2292 CG LEU A 152 -6.423 -9.056 -8.057 1.00 1.39 C ATOM 2293 CD1 LEU A 152 -6.471 -7.528 -8.150 1.00 2.49 C ATOM 2294 CD2 LEU A 152 -5.614 -9.438 -6.816 1.00 1.71 C ATOM 0 H LEU A 152 -7.533 -10.686 -10.210 1.00 0.80 H new ATOM 0 HA LEU A 152 -7.153 -11.583 -7.569 1.00 0.74 H new ATOM 0 HB2 LEU A 152 -8.471 -9.125 -8.724 1.00 0.90 H new ATOM 0 HB3 LEU A 152 -8.272 -9.393 -7.003 1.00 0.90 H new ATOM 0 HG LEU A 152 -5.946 -9.475 -8.943 1.00 1.39 H new ATOM 0 HD11 LEU A 152 -5.456 -7.135 -8.203 1.00 2.49 H new ATOM 0 HD12 LEU A 152 -7.021 -7.235 -9.044 1.00 2.49 H new ATOM 0 HD13 LEU A 152 -6.970 -7.125 -7.269 1.00 2.49 H new ATOM 0 HD21 LEU A 152 -4.609 -9.024 -6.895 1.00 1.71 H new ATOM 0 HD22 LEU A 152 -6.102 -9.039 -5.927 1.00 1.71 H new ATOM 0 HD23 LEU A 152 -5.554 -10.524 -6.741 1.00 1.71 H new ATOM 2306 N LYS A 153 -10.270 -11.675 -8.737 1.00 0.73 N ATOM 2307 CA LYS A 153 -11.556 -12.268 -8.381 1.00 0.85 C ATOM 2308 C LYS A 153 -11.430 -13.778 -8.232 1.00 0.97 C ATOM 2309 O LYS A 153 -12.117 -14.360 -7.403 1.00 1.12 O ATOM 2310 CB LYS A 153 -12.661 -11.888 -9.375 1.00 1.11 C ATOM 2311 CG LYS A 153 -13.284 -10.555 -8.947 1.00 1.27 C ATOM 2312 CD LYS A 153 -14.494 -10.195 -9.813 1.00 1.82 C ATOM 2313 CE LYS A 153 -15.326 -9.142 -9.072 1.00 2.82 C ATOM 2314 NZ LYS A 153 -16.572 -8.806 -9.795 1.00 3.73 N ATOM 0 H LYS A 153 -10.211 -11.278 -9.675 1.00 0.73 H new ATOM 0 HA LYS A 153 -11.852 -11.857 -7.416 1.00 0.85 H new ATOM 0 HB2 LYS A 153 -12.250 -11.805 -10.381 1.00 1.11 H new ATOM 0 HB3 LYS A 153 -13.423 -12.667 -9.406 1.00 1.11 H new ATOM 0 HG2 LYS A 153 -13.588 -10.614 -7.902 1.00 1.27 H new ATOM 0 HG3 LYS A 153 -12.537 -9.764 -9.018 1.00 1.27 H new ATOM 0 HD2 LYS A 153 -14.167 -9.809 -10.779 1.00 1.82 H new ATOM 0 HD3 LYS A 153 -15.095 -11.082 -10.011 1.00 1.82 H new ATOM 0 HE2 LYS A 153 -15.573 -9.511 -8.077 1.00 2.82 H new ATOM 0 HE3 LYS A 153 -14.731 -8.239 -8.938 1.00 2.82 H new ATOM 0 HZ1 LYS A 153 -17.103 -8.091 -9.258 1.00 3.73 H new ATOM 0 HZ2 LYS A 153 -16.337 -8.429 -10.735 1.00 3.73 H new ATOM 0 HZ3 LYS A 153 -17.154 -9.662 -9.901 1.00 3.73 H new ATOM 2328 N GLU A 154 -10.557 -14.418 -9.004 1.00 0.99 N ATOM 2329 CA GLU A 154 -10.374 -15.864 -8.967 1.00 1.21 C ATOM 2330 C GLU A 154 -9.800 -16.252 -7.606 1.00 1.22 C ATOM 2331 O GLU A 154 -10.294 -17.140 -6.924 1.00 1.47 O ATOM 2332 CB GLU A 154 -9.458 -16.281 -10.129 1.00 1.28 C ATOM 2333 CG GLU A 154 -9.813 -17.658 -10.705 1.00 1.76 C ATOM 2334 CD GLU A 154 -9.422 -18.820 -9.784 1.00 3.19 C ATOM 2335 OE1 GLU A 154 -10.328 -19.601 -9.419 1.00 4.46 O ATOM 2336 OE2 GLU A 154 -8.214 -18.928 -9.475 1.00 3.85 O ATOM 0 H GLU A 154 -9.954 -13.945 -9.676 1.00 0.99 H new ATOM 0 HA GLU A 154 -11.322 -16.387 -9.090 1.00 1.21 H new ATOM 0 HB2 GLU A 154 -9.521 -15.534 -10.921 1.00 1.28 H new ATOM 0 HB3 GLU A 154 -8.424 -16.293 -9.784 1.00 1.28 H new ATOM 0 HG2 GLU A 154 -10.886 -17.699 -10.895 1.00 1.76 H new ATOM 0 HG3 GLU A 154 -9.314 -17.782 -11.666 1.00 1.76 H new ATOM 2343 N ALA A 155 -8.777 -15.527 -7.171 1.00 1.07 N ATOM 2344 CA ALA A 155 -8.095 -15.777 -5.912 1.00 1.22 C ATOM 2345 C ALA A 155 -8.954 -15.365 -4.728 1.00 1.29 C ATOM 2346 O ALA A 155 -8.907 -16.002 -3.680 1.00 1.62 O ATOM 2347 CB ALA A 155 -6.762 -15.024 -5.897 1.00 1.20 C ATOM 0 H ALA A 155 -8.394 -14.738 -7.692 1.00 1.07 H new ATOM 0 HA ALA A 155 -7.908 -16.847 -5.824 1.00 1.22 H new ATOM 0 HB1 ALA A 155 -6.249 -15.211 -4.953 1.00 1.20 H new ATOM 0 HB2 ALA A 155 -6.140 -15.369 -6.723 1.00 1.20 H new ATOM 0 HB3 ALA A 155 -6.947 -13.955 -6.004 1.00 1.20 H new ATOM 2353 N VAL A 156 -9.739 -14.302 -4.879 1.00 1.05 N ATOM 2354 CA VAL A 156 -10.713 -13.900 -3.885 1.00 1.12 C ATOM 2355 C VAL A 156 -11.792 -14.976 -3.801 1.00 1.32 C ATOM 2356 O VAL A 156 -12.332 -15.215 -2.728 1.00 1.53 O ATOM 2357 CB VAL A 156 -11.255 -12.508 -4.258 1.00 0.89 C ATOM 2358 CG1 VAL A 156 -12.525 -12.125 -3.506 1.00 1.02 C ATOM 2359 CG2 VAL A 156 -10.203 -11.438 -3.940 1.00 0.95 C ATOM 0 H VAL A 156 -9.713 -13.697 -5.700 1.00 1.05 H new ATOM 0 HA VAL A 156 -10.273 -13.811 -2.892 1.00 1.12 H new ATOM 0 HB VAL A 156 -11.486 -12.558 -5.322 1.00 0.89 H new ATOM 0 HG11 VAL A 156 -12.848 -11.133 -3.820 1.00 1.02 H new ATOM 0 HG12 VAL A 156 -13.310 -12.849 -3.725 1.00 1.02 H new ATOM 0 HG13 VAL A 156 -12.326 -12.120 -2.434 1.00 1.02 H new ATOM 0 HG21 VAL A 156 -10.592 -10.455 -4.206 1.00 0.95 H new ATOM 0 HG22 VAL A 156 -9.971 -11.461 -2.875 1.00 0.95 H new ATOM 0 HG23 VAL A 156 -9.297 -11.637 -4.513 1.00 0.95 H new ATOM 2369 N ALA A 157 -12.092 -15.660 -4.909 1.00 1.34 N ATOM 2370 CA ALA A 157 -13.135 -16.674 -4.900 1.00 1.61 C ATOM 2371 C ALA A 157 -12.618 -17.895 -4.153 1.00 1.87 C ATOM 2372 O ALA A 157 -13.272 -18.404 -3.250 1.00 2.12 O ATOM 2373 CB ALA A 157 -13.578 -17.024 -6.325 1.00 1.70 C ATOM 0 H ALA A 157 -11.631 -15.528 -5.809 1.00 1.34 H new ATOM 0 HA ALA A 157 -14.018 -16.290 -4.388 1.00 1.61 H new ATOM 0 HB1 ALA A 157 -14.358 -17.784 -6.287 1.00 1.70 H new ATOM 0 HB2 ALA A 157 -13.965 -16.131 -6.815 1.00 1.70 H new ATOM 0 HB3 ALA A 157 -12.726 -17.406 -6.887 1.00 1.70 H new ATOM 2379 N ARG A 158 -11.415 -18.354 -4.502 1.00 1.84 N ATOM 2380 CA ARG A 158 -10.783 -19.483 -3.839 1.00 2.15 C ATOM 2381 C ARG A 158 -10.485 -19.196 -2.375 1.00 2.20 C ATOM 2382 O ARG A 158 -10.342 -20.134 -1.598 1.00 2.43 O ATOM 2383 CB ARG A 158 -9.506 -19.906 -4.577 1.00 2.27 C ATOM 2384 CG ARG A 158 -9.786 -21.082 -5.516 1.00 2.12 C ATOM 2385 CD ARG A 158 -8.467 -21.568 -6.116 1.00 2.30 C ATOM 2386 NE ARG A 158 -8.667 -22.729 -6.991 1.00 2.13 N ATOM 2387 CZ ARG A 158 -7.680 -23.450 -7.536 1.00 2.76 C ATOM 2388 NH1 ARG A 158 -7.963 -24.484 -8.329 1.00 3.35 N ATOM 2389 NH2 ARG A 158 -6.409 -23.137 -7.281 1.00 3.53 N ATOM 0 H ARG A 158 -10.856 -17.950 -5.253 1.00 1.84 H new ATOM 0 HA ARG A 158 -11.494 -20.309 -3.869 1.00 2.15 H new ATOM 0 HB2 ARG A 158 -9.115 -19.064 -5.148 1.00 2.27 H new ATOM 0 HB3 ARG A 158 -8.739 -20.186 -3.855 1.00 2.27 H new ATOM 0 HG2 ARG A 158 -10.272 -21.891 -4.971 1.00 2.12 H new ATOM 0 HG3 ARG A 158 -10.469 -20.776 -6.308 1.00 2.12 H new ATOM 0 HD2 ARG A 158 -8.005 -20.760 -6.683 1.00 2.30 H new ATOM 0 HD3 ARG A 158 -7.777 -21.830 -5.314 1.00 2.30 H new ATOM 0 HE ARG A 158 -9.626 -23.006 -7.199 1.00 2.13 H new ATOM 0 HH11 ARG A 158 -8.934 -24.728 -8.522 1.00 3.35 H new ATOM 0 HH12 ARG A 158 -7.208 -25.031 -8.743 1.00 3.35 H new ATOM 0 HH21 ARG A 158 -6.190 -22.349 -6.671 1.00 3.53 H new ATOM 0 HH22 ARG A 158 -5.656 -23.686 -7.696 1.00 3.53 H new ATOM 2403 N ARG A 159 -10.334 -17.928 -1.992 1.00 2.04 N ATOM 2404 CA ARG A 159 -10.146 -17.606 -0.579 1.00 2.17 C ATOM 2405 C ARG A 159 -11.385 -17.898 0.264 1.00 2.28 C ATOM 2406 O ARG A 159 -11.217 -18.138 1.456 1.00 2.47 O ATOM 2407 CB ARG A 159 -9.673 -16.158 -0.416 1.00 2.10 C ATOM 2408 CG ARG A 159 -8.158 -16.162 -0.628 1.00 2.42 C ATOM 2409 CD ARG A 159 -7.601 -14.789 -0.999 1.00 3.30 C ATOM 2410 NE ARG A 159 -6.249 -14.943 -1.554 1.00 4.12 N ATOM 2411 CZ ARG A 159 -5.134 -15.179 -0.849 1.00 4.64 C ATOM 2412 NH1 ARG A 159 -3.998 -15.479 -1.477 1.00 5.56 N ATOM 2413 NH2 ARG A 159 -5.144 -15.123 0.481 1.00 4.64 N ATOM 0 H ARG A 159 -10.338 -17.126 -2.622 1.00 2.04 H new ATOM 0 HA ARG A 159 -9.366 -18.265 -0.198 1.00 2.17 H new ATOM 0 HB2 ARG A 159 -10.163 -15.507 -1.140 1.00 2.10 H new ATOM 0 HB3 ARG A 159 -9.924 -15.778 0.575 1.00 2.10 H new ATOM 0 HG2 ARG A 159 -7.671 -16.511 0.282 1.00 2.42 H new ATOM 0 HG3 ARG A 159 -7.909 -16.873 -1.416 1.00 2.42 H new ATOM 0 HD2 ARG A 159 -8.252 -14.305 -1.727 1.00 3.30 H new ATOM 0 HD3 ARG A 159 -7.574 -14.146 -0.119 1.00 3.30 H new ATOM 0 HE ARG A 159 -6.150 -14.863 -2.566 1.00 4.12 H new ATOM 0 HH11 ARG A 159 -3.976 -15.529 -2.496 1.00 5.56 H new ATOM 0 HH12 ARG A 159 -3.150 -15.658 -0.939 1.00 5.56 H new ATOM 0 HH21 ARG A 159 -6.007 -14.898 0.976 1.00 4.64 H new ATOM 0 HH22 ARG A 159 -4.288 -15.305 1.006 1.00 4.64 H new ATOM 2427 N GLU A 160 -12.575 -17.913 -0.346 1.00 2.23 N ATOM 2428 CA GLU A 160 -13.856 -18.010 0.345 1.00 2.39 C ATOM 2429 C GLU A 160 -13.908 -17.058 1.548 1.00 3.95 C ATOM 2430 O GLU A 160 -14.492 -17.441 2.584 1.00 4.41 O ATOM 2431 CB GLU A 160 -14.162 -19.483 0.672 1.00 3.39 C ATOM 2432 CG GLU A 160 -14.301 -20.323 -0.607 1.00 3.67 C ATOM 2433 CD GLU A 160 -14.829 -21.736 -0.327 1.00 5.37 C ATOM 2434 OE1 GLU A 160 -14.050 -22.559 0.207 1.00 6.90 O ATOM 2435 OE2 GLU A 160 -16.005 -21.992 -0.674 1.00 5.58 O ATOM 0 H GLU A 160 -12.671 -17.856 -1.360 1.00 2.23 H new ATOM 0 HA GLU A 160 -14.662 -17.673 -0.307 1.00 2.39 H new ATOM 0 HB2 GLU A 160 -13.366 -19.892 1.293 1.00 3.39 H new ATOM 0 HB3 GLU A 160 -15.083 -19.545 1.252 1.00 3.39 H new ATOM 0 HG2 GLU A 160 -14.975 -19.817 -1.299 1.00 3.67 H new ATOM 0 HG3 GLU A 160 -13.331 -20.392 -1.100 1.00 3.67 H new TER 2442 GLU A 160