USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 966 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 96 ASN : amide:sc= 1.08 K(o=2,f=1.4) USER MOD Set 1.2: A 115 SER OG : rot 180:sc= 0.919 USER MOD Set 2.1: A 59 THR OG1 : rot -130:sc= -0.11 USER MOD Set 2.2: A 74 MET CE :methyl -130:sc= -0.502 (180deg=-2.6!) USER MOD Set 3.1: A 52 HIS : no HD1:sc= 1.08 K(o=1.7,f=-1.7!) USER MOD Set 3.2: A 58 THR OG1 : rot 127:sc= 0.641 USER MOD Set 4.1: A 38 THR OG1 : rot -83:sc= 0.205 USER MOD Set 4.2: A 51 GLN :FLIP amide:sc= -0.556 F(o=-1.1!,f=-0.35) USER MOD Single : A 3 THR OG1 : rot 175:sc= -2.63! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 5:sc= 0.689 USER MOD Single : A 10 SER OG : rot 180:sc=-0.00716 USER MOD Single : A 13 ASN : amide:sc= 0.28 K(o=0.28,f=-1.7!) USER MOD Single : A 14 TYR OH : rot -148:sc= 1.22 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -129:sc= -0.614 (180deg=-1.49) USER MOD Single : A 33 ASN : amide:sc= -0.0196 K(o=-0.02,f=-0.85) USER MOD Single : A 34 CYS SG : rot 174:sc= 0.707 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.23) USER MOD Single : A 45 ASN : amide:sc= -0.71 X(o=-0.71,f=-0.69) USER MOD Single : A 48 THR OG1 : rot 111:sc= -1.87! USER MOD Single : A 50 THR OG1 : rot 83:sc= 0.435 USER MOD Single : A 60 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 61 ASN : amide:sc= -0.968 X(o=-0.97,f=-0.82) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00061 USER MOD Single : A 64 THR OG1 : rot 10:sc= 1.03 USER MOD Single : A 67 LYS NZ :NH3+ -109:sc= 0.0261 (180deg=0) USER MOD Single : A 71 MET CE :methyl -171:sc= -0.44 (180deg=-0.753) USER MOD Single : A 73 THR OG1 : rot 160:sc= -0.196 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 1.32 (180deg=1.32) USER MOD Single : A 80 LYS NZ :NH3+ -171:sc= 0.94 (180deg=0.647) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -172:sc= -2.03 (180deg=-2.2) USER MOD Single : A 89 LYS NZ :NH3+ -143:sc= 1.09 (180deg=-0.655!) USER MOD Single : A 97 TYR OH : rot 30:sc= 0 USER MOD Single : A 98 HIS : no HE2:sc= -0.0569 K(o=-0.057,f=-0.79) USER MOD Single : A 99 HIS : no HD1:sc= -0.547 X(o=-0.55,f=-0.11) USER MOD Single : A 100 THR OG1 : rot -25:sc= 0.382 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 150:sc= 1.32 (180deg=-0.143) USER MOD Single : A 112 SER OG : rot -104:sc= 1.25 USER MOD Single : A 113 THR OG1 : rot 180:sc= -1.72! USER MOD Single : A 114 SER OG : rot -153:sc= 0.828 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.15) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 137:sc= 1.23 (180deg=0.836) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 2 -12.420 -6.878 -3.069 1.00 0.35 N ATOM 12 CA PHE A 2 -11.245 -6.343 -2.394 1.00 0.27 C ATOM 13 C PHE A 2 -10.956 -7.111 -1.112 1.00 0.23 C ATOM 14 O PHE A 2 -9.822 -7.131 -0.636 1.00 0.25 O ATOM 15 CB PHE A 2 -11.434 -4.855 -2.081 1.00 0.33 C ATOM 16 CG PHE A 2 -11.140 -3.963 -3.250 1.00 0.31 C ATOM 17 CD1 PHE A 2 -9.868 -3.918 -3.798 1.00 1.24 C ATOM 18 CD2 PHE A 2 -12.135 -3.177 -3.808 1.00 1.22 C ATOM 19 CE1 PHE A 2 -9.593 -3.104 -4.878 1.00 1.24 C ATOM 20 CE2 PHE A 2 -11.864 -2.361 -4.891 1.00 1.23 C ATOM 21 CZ PHE A 2 -10.592 -2.324 -5.426 1.00 0.36 C ATOM 0 HA PHE A 2 -10.394 -6.457 -3.065 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.460 -4.687 -1.753 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.785 -4.580 -1.250 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -9.083 -4.527 -3.375 1.00 1.24 H new ATOM 0 HD2 PHE A 2 -13.132 -3.202 -3.393 1.00 1.22 H new ATOM 0 HE1 PHE A 2 -8.597 -3.077 -5.294 1.00 1.24 H new ATOM 0 HE2 PHE A 2 -12.647 -1.753 -5.318 1.00 1.23 H new ATOM 0 HZ PHE A 2 -10.379 -1.686 -6.271 1.00 0.36 H new ATOM 31 N THR A 3 -11.985 -7.747 -0.569 1.00 0.20 N ATOM 32 CA THR A 3 -11.865 -8.511 0.663 1.00 0.19 C ATOM 33 C THR A 3 -10.922 -9.699 0.510 1.00 0.19 C ATOM 34 O THR A 3 -10.858 -10.321 -0.549 1.00 0.26 O ATOM 35 CB THR A 3 -13.233 -9.038 1.109 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.263 -8.137 0.695 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.265 -9.209 2.618 1.00 0.26 C ATOM 0 H THR A 3 -12.923 -7.747 -0.969 1.00 0.20 H new ATOM 0 HA THR A 3 -11.459 -7.830 1.411 1.00 0.19 H new ATOM 0 HB THR A 3 -13.403 -10.009 0.644 1.00 0.21 H new ATOM 0 HG1 THR A 3 -15.139 -8.520 0.911 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.243 -9.584 2.921 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.495 -9.918 2.920 1.00 0.26 H new ATOM 0 HG23 THR A 3 -13.081 -8.247 3.097 1.00 0.26 H new ATOM 45 N GLY A 4 -10.208 -10.019 1.579 1.00 0.19 N ATOM 46 CA GLY A 4 -9.294 -11.129 1.542 1.00 0.21 C ATOM 47 C GLY A 4 -7.904 -10.743 1.976 1.00 0.19 C ATOM 48 O GLY A 4 -7.613 -9.564 2.178 1.00 0.21 O ATOM 0 H GLY A 4 -10.249 -9.525 2.471 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.666 -11.924 2.188 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.257 -11.532 0.530 1.00 0.21 H new ATOM 52 N LYS A 5 -7.053 -11.736 2.151 1.00 0.20 N ATOM 53 CA LYS A 5 -5.678 -11.491 2.535 1.00 0.20 C ATOM 54 C LYS A 5 -4.810 -11.581 1.289 1.00 0.18 C ATOM 55 O LYS A 5 -5.083 -12.383 0.394 1.00 0.19 O ATOM 56 CB LYS A 5 -5.213 -12.482 3.615 1.00 0.23 C ATOM 57 CG LYS A 5 -4.452 -13.678 3.072 1.00 0.28 C ATOM 58 CD LYS A 5 -4.304 -14.777 4.106 1.00 0.31 C ATOM 59 CE LYS A 5 -3.184 -14.475 5.085 1.00 0.56 C ATOM 60 NZ LYS A 5 -3.098 -15.498 6.153 1.00 1.54 N ATOM 0 H LYS A 5 -7.291 -12.721 2.033 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.591 -10.496 2.971 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.579 -11.955 4.328 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -6.084 -12.838 4.165 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.971 -14.071 2.198 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.464 -13.358 2.739 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -5.241 -14.895 4.650 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -4.105 -15.724 3.605 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.236 -14.428 4.550 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -3.347 -13.495 5.533 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -2.322 -15.258 6.802 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -3.994 -15.526 6.680 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -2.918 -16.430 5.728 1.00 1.54 H new ATOM 74 N TYR A 6 -3.798 -10.743 1.205 1.00 0.19 N ATOM 75 CA TYR A 6 -2.922 -10.738 0.047 1.00 0.19 C ATOM 76 C TYR A 6 -1.473 -10.894 0.470 1.00 0.19 C ATOM 77 O TYR A 6 -1.079 -10.430 1.537 1.00 0.23 O ATOM 78 CB TYR A 6 -3.104 -9.440 -0.742 1.00 0.22 C ATOM 79 CG TYR A 6 -4.517 -9.212 -1.232 1.00 0.23 C ATOM 80 CD1 TYR A 6 -5.446 -8.535 -0.451 1.00 1.25 C ATOM 81 CD2 TYR A 6 -4.919 -9.674 -2.477 1.00 1.14 C ATOM 82 CE1 TYR A 6 -6.734 -8.326 -0.897 1.00 1.29 C ATOM 83 CE2 TYR A 6 -6.205 -9.468 -2.930 1.00 1.13 C ATOM 84 CZ TYR A 6 -7.108 -8.794 -2.136 1.00 0.35 C ATOM 85 OH TYR A 6 -8.392 -8.594 -2.579 1.00 0.44 O ATOM 0 H TYR A 6 -3.560 -10.057 1.922 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.186 -11.582 -0.590 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.808 -8.600 -0.113 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.430 -9.450 -1.599 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -5.154 -8.166 0.521 1.00 1.25 H new ATOM 0 HD2 TYR A 6 -4.214 -10.203 -3.101 1.00 1.14 H new ATOM 0 HE1 TYR A 6 -7.445 -7.798 -0.278 1.00 1.29 H new ATOM 0 HE2 TYR A 6 -6.503 -9.833 -3.902 1.00 1.13 H new ATOM 0 HH TYR A 6 -8.880 -8.046 -1.930 1.00 0.44 H new ATOM 95 N GLU A 7 -0.690 -11.559 -0.361 1.00 0.19 N ATOM 96 CA GLU A 7 0.719 -11.769 -0.075 1.00 0.21 C ATOM 97 C GLU A 7 1.577 -11.284 -1.234 1.00 0.19 C ATOM 98 O GLU A 7 1.117 -11.240 -2.378 1.00 0.22 O ATOM 99 CB GLU A 7 1.005 -13.245 0.198 1.00 0.26 C ATOM 100 CG GLU A 7 0.665 -13.684 1.611 1.00 0.33 C ATOM 101 CD GLU A 7 0.973 -15.148 1.850 1.00 0.59 C ATOM 102 OE1 GLU A 7 1.753 -15.738 1.071 1.00 1.41 O ATOM 103 OE2 GLU A 7 0.430 -15.721 2.816 1.00 1.20 O ATOM 0 H GLU A 7 -1.007 -11.964 -1.242 1.00 0.19 H new ATOM 0 HA GLU A 7 0.969 -11.194 0.817 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.438 -13.852 -0.507 1.00 0.26 H new ATOM 0 HB3 GLU A 7 2.061 -13.442 0.011 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.225 -13.077 2.322 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.393 -13.502 1.801 1.00 0.33 H new ATOM 110 N PHE A 8 2.817 -10.930 -0.923 1.00 0.23 N ATOM 111 CA PHE A 8 3.765 -10.442 -1.912 1.00 0.25 C ATOM 112 C PHE A 8 3.940 -11.448 -3.049 1.00 0.24 C ATOM 113 O PHE A 8 4.388 -12.577 -2.834 1.00 0.33 O ATOM 114 CB PHE A 8 5.113 -10.157 -1.242 1.00 0.33 C ATOM 115 CG PHE A 8 6.209 -9.810 -2.207 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.021 -8.825 -3.164 1.00 1.32 C ATOM 117 CD2 PHE A 8 7.424 -10.471 -2.161 1.00 1.55 C ATOM 118 CE1 PHE A 8 7.026 -8.507 -4.052 1.00 1.57 C ATOM 119 CE2 PHE A 8 8.433 -10.155 -3.047 1.00 1.86 C ATOM 120 CZ PHE A 8 8.233 -9.173 -3.995 1.00 1.49 C ATOM 0 H PHE A 8 3.193 -10.974 0.024 1.00 0.23 H new ATOM 0 HA PHE A 8 3.373 -9.519 -2.339 1.00 0.25 H new ATOM 0 HB2 PHE A 8 4.990 -9.336 -0.536 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.413 -11.032 -0.665 1.00 0.33 H new ATOM 0 HD1 PHE A 8 5.078 -8.302 -3.214 1.00 1.32 H new ATOM 0 HD2 PHE A 8 7.584 -11.243 -1.423 1.00 1.55 H new ATOM 0 HE1 PHE A 8 6.869 -7.737 -4.792 1.00 1.57 H new ATOM 0 HE2 PHE A 8 9.378 -10.676 -2.999 1.00 1.86 H new ATOM 0 HZ PHE A 8 9.020 -8.926 -4.692 1.00 1.49 H new ATOM 130 N GLU A 9 3.563 -11.041 -4.251 1.00 0.25 N ATOM 131 CA GLU A 9 3.681 -11.900 -5.413 1.00 0.26 C ATOM 132 C GLU A 9 4.698 -11.333 -6.396 1.00 0.28 C ATOM 133 O GLU A 9 5.649 -12.009 -6.776 1.00 0.34 O ATOM 134 CB GLU A 9 2.324 -12.065 -6.102 1.00 0.27 C ATOM 135 CG GLU A 9 2.345 -13.017 -7.283 1.00 0.35 C ATOM 136 CD GLU A 9 1.948 -14.427 -6.900 1.00 0.61 C ATOM 137 OE1 GLU A 9 2.431 -14.924 -5.865 1.00 1.19 O ATOM 138 OE2 GLU A 9 1.142 -15.037 -7.630 1.00 1.46 O ATOM 0 H GLU A 9 3.172 -10.119 -4.445 1.00 0.25 H new ATOM 0 HA GLU A 9 4.024 -12.879 -5.078 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.598 -12.423 -5.372 1.00 0.27 H new ATOM 0 HB3 GLU A 9 1.979 -11.088 -6.441 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.668 -12.649 -8.054 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.345 -13.030 -7.717 1.00 0.35 H new ATOM 145 N SER A 10 4.496 -10.090 -6.806 1.00 0.26 N ATOM 146 CA SER A 10 5.395 -9.445 -7.753 1.00 0.29 C ATOM 147 C SER A 10 5.501 -7.945 -7.474 1.00 0.27 C ATOM 148 O SER A 10 4.601 -7.357 -6.874 1.00 0.32 O ATOM 149 CB SER A 10 4.898 -9.683 -9.183 1.00 0.34 C ATOM 150 OG SER A 10 4.758 -11.069 -9.459 1.00 1.01 O ATOM 0 H SER A 10 3.718 -9.507 -6.498 1.00 0.26 H new ATOM 0 HA SER A 10 6.388 -9.880 -7.639 1.00 0.29 H new ATOM 0 HB2 SER A 10 3.939 -9.184 -9.324 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.597 -9.238 -9.891 1.00 0.34 H new ATOM 0 HG SER A 10 4.438 -11.189 -10.378 1.00 1.01 H new ATOM 156 N ASP A 11 6.597 -7.338 -7.917 1.00 0.28 N ATOM 157 CA ASP A 11 6.828 -5.915 -7.725 1.00 0.28 C ATOM 158 C ASP A 11 7.565 -5.347 -8.928 1.00 0.28 C ATOM 159 O ASP A 11 8.254 -6.078 -9.647 1.00 0.34 O ATOM 160 CB ASP A 11 7.628 -5.638 -6.442 1.00 0.32 C ATOM 161 CG ASP A 11 9.076 -6.096 -6.524 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.328 -7.247 -6.951 1.00 1.71 O ATOM 163 OD2 ASP A 11 9.974 -5.309 -6.157 1.00 1.72 O ATOM 0 H ASP A 11 7.346 -7.818 -8.417 1.00 0.28 H new ATOM 0 HA ASP A 11 5.858 -5.428 -7.624 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.604 -4.569 -6.231 1.00 0.32 H new ATOM 0 HB3 ASP A 11 7.143 -6.139 -5.604 1.00 0.32 H new ATOM 168 N GLU A 12 7.404 -4.055 -9.154 1.00 0.26 N ATOM 169 CA GLU A 12 8.042 -3.386 -10.270 1.00 0.27 C ATOM 170 C GLU A 12 8.366 -1.942 -9.902 1.00 0.25 C ATOM 171 O GLU A 12 7.567 -1.266 -9.250 1.00 0.26 O ATOM 172 CB GLU A 12 7.116 -3.440 -11.484 1.00 0.32 C ATOM 173 CG GLU A 12 7.496 -2.490 -12.611 1.00 0.38 C ATOM 174 CD GLU A 12 6.378 -2.298 -13.618 1.00 0.57 C ATOM 175 OE1 GLU A 12 5.459 -3.144 -13.665 1.00 1.00 O ATOM 176 OE2 GLU A 12 6.408 -1.300 -14.366 1.00 1.44 O ATOM 0 H GLU A 12 6.830 -3.445 -8.572 1.00 0.26 H new ATOM 0 HA GLU A 12 8.977 -3.891 -10.513 1.00 0.27 H new ATOM 0 HB2 GLU A 12 7.106 -4.458 -11.872 1.00 0.32 H new ATOM 0 HB3 GLU A 12 6.100 -3.212 -11.161 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.769 -1.523 -12.189 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.378 -2.875 -13.123 1.00 0.38 H new ATOM 183 N ASN A 13 9.538 -1.488 -10.335 1.00 0.25 N ATOM 184 CA ASN A 13 10.018 -0.126 -10.074 1.00 0.25 C ATOM 185 C ASN A 13 10.152 0.139 -8.578 1.00 0.23 C ATOM 186 O ASN A 13 9.704 1.170 -8.081 1.00 0.30 O ATOM 187 CB ASN A 13 9.085 0.920 -10.705 1.00 0.29 C ATOM 188 CG ASN A 13 9.531 1.358 -12.087 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.714 1.305 -12.421 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.587 1.811 -12.897 1.00 0.84 N ATOM 0 H ASN A 13 10.188 -2.054 -10.880 1.00 0.25 H new ATOM 0 HA ASN A 13 11.004 -0.040 -10.531 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.078 0.509 -10.768 1.00 0.29 H new ATOM 0 HB3 ASN A 13 9.033 1.792 -10.053 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.830 2.132 -13.834 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.617 1.839 -12.584 1.00 0.84 H new ATOM 197 N TYR A 14 10.785 -0.778 -7.860 1.00 0.23 N ATOM 198 CA TYR A 14 10.958 -0.621 -6.422 1.00 0.25 C ATOM 199 C TYR A 14 12.057 0.387 -6.111 1.00 0.23 C ATOM 200 O TYR A 14 11.828 1.369 -5.405 1.00 0.22 O ATOM 201 CB TYR A 14 11.285 -1.964 -5.760 1.00 0.32 C ATOM 202 CG TYR A 14 11.308 -1.890 -4.245 1.00 0.44 C ATOM 203 CD1 TYR A 14 12.463 -1.514 -3.564 1.00 1.30 C ATOM 204 CD2 TYR A 14 10.169 -2.171 -3.496 1.00 1.28 C ATOM 205 CE1 TYR A 14 12.482 -1.422 -2.189 1.00 1.36 C ATOM 206 CE2 TYR A 14 10.182 -2.076 -2.118 1.00 1.39 C ATOM 207 CZ TYR A 14 11.342 -1.699 -1.470 1.00 0.78 C ATOM 208 OH TYR A 14 11.356 -1.588 -0.102 1.00 0.98 O ATOM 0 H TYR A 14 11.185 -1.633 -8.246 1.00 0.23 H new ATOM 0 HA TYR A 14 10.017 -0.249 -6.017 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.548 -2.705 -6.071 1.00 0.32 H new ATOM 0 HB3 TYR A 14 12.255 -2.311 -6.116 1.00 0.32 H new ATOM 0 HD1 TYR A 14 13.360 -1.291 -4.123 1.00 1.30 H new ATOM 0 HD2 TYR A 14 9.261 -2.468 -4.000 1.00 1.28 H new ATOM 0 HE1 TYR A 14 13.388 -1.134 -1.678 1.00 1.36 H new ATOM 0 HE2 TYR A 14 9.290 -2.295 -1.550 1.00 1.39 H new ATOM 0 HH TYR A 14 10.744 -2.248 0.286 1.00 0.98 H new ATOM 218 N ASP A 15 13.247 0.133 -6.644 1.00 0.25 N ATOM 219 CA ASP A 15 14.404 1.002 -6.416 1.00 0.26 C ATOM 220 C ASP A 15 14.121 2.425 -6.869 1.00 0.25 C ATOM 221 O ASP A 15 14.428 3.380 -6.165 1.00 0.26 O ATOM 222 CB ASP A 15 15.633 0.492 -7.156 1.00 0.33 C ATOM 223 CG ASP A 15 16.043 -0.906 -6.736 1.00 0.50 C ATOM 224 OD1 ASP A 15 16.821 -1.035 -5.765 1.00 1.18 O ATOM 225 OD2 ASP A 15 15.597 -1.880 -7.382 1.00 1.30 O ATOM 0 H ASP A 15 13.440 -0.671 -7.241 1.00 0.25 H new ATOM 0 HA ASP A 15 14.597 0.993 -5.343 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.433 0.499 -8.228 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.464 1.176 -6.982 1.00 0.33 H new ATOM 230 N ASP A 16 13.552 2.558 -8.055 1.00 0.25 N ATOM 231 CA ASP A 16 13.224 3.869 -8.603 1.00 0.26 C ATOM 232 C ASP A 16 12.288 4.619 -7.669 1.00 0.25 C ATOM 233 O ASP A 16 12.438 5.818 -7.447 1.00 0.29 O ATOM 234 CB ASP A 16 12.572 3.712 -9.970 1.00 0.29 C ATOM 235 CG ASP A 16 13.565 3.845 -11.103 1.00 0.72 C ATOM 236 OD1 ASP A 16 14.397 2.932 -11.283 1.00 1.20 O ATOM 237 OD2 ASP A 16 13.524 4.867 -11.821 1.00 1.46 O ATOM 0 H ASP A 16 13.306 1.775 -8.660 1.00 0.25 H new ATOM 0 HA ASP A 16 14.146 4.442 -8.707 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.087 2.737 -10.028 1.00 0.29 H new ATOM 0 HB3 ASP A 16 11.791 4.464 -10.085 1.00 0.29 H new ATOM 242 N PHE A 17 11.331 3.887 -7.121 1.00 0.21 N ATOM 243 CA PHE A 17 10.352 4.445 -6.206 1.00 0.21 C ATOM 244 C PHE A 17 11.017 4.925 -4.921 1.00 0.20 C ATOM 245 O PHE A 17 10.893 6.089 -4.541 1.00 0.23 O ATOM 246 CB PHE A 17 9.308 3.382 -5.879 1.00 0.21 C ATOM 247 CG PHE A 17 8.199 3.856 -4.987 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.169 4.631 -5.491 1.00 1.17 C ATOM 249 CD2 PHE A 17 8.180 3.511 -3.648 1.00 1.22 C ATOM 250 CE1 PHE A 17 6.140 5.054 -4.672 1.00 1.19 C ATOM 251 CE2 PHE A 17 7.153 3.929 -2.828 1.00 1.24 C ATOM 252 CZ PHE A 17 6.133 4.700 -3.341 1.00 0.38 C ATOM 0 H PHE A 17 11.212 2.890 -7.299 1.00 0.21 H new ATOM 0 HA PHE A 17 9.876 5.301 -6.683 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.877 3.015 -6.810 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.805 2.537 -5.403 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.170 4.908 -6.535 1.00 1.17 H new ATOM 0 HD2 PHE A 17 8.978 2.908 -3.240 1.00 1.22 H new ATOM 0 HE1 PHE A 17 5.343 5.661 -5.075 1.00 1.19 H new ATOM 0 HE2 PHE A 17 7.148 3.652 -1.784 1.00 1.24 H new ATOM 0 HZ PHE A 17 5.328 5.027 -2.699 1.00 0.38 H new ATOM 262 N VAL A 18 11.737 4.023 -4.269 1.00 0.19 N ATOM 263 CA VAL A 18 12.401 4.339 -3.012 1.00 0.21 C ATOM 264 C VAL A 18 13.441 5.441 -3.181 1.00 0.23 C ATOM 265 O VAL A 18 13.622 6.269 -2.284 1.00 0.26 O ATOM 266 CB VAL A 18 13.051 3.098 -2.364 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.986 2.087 -1.967 1.00 0.25 C ATOM 268 CG2 VAL A 18 14.068 2.466 -3.303 1.00 0.23 C ATOM 0 H VAL A 18 11.876 3.065 -4.590 1.00 0.19 H new ATOM 0 HA VAL A 18 11.619 4.699 -2.343 1.00 0.21 H new ATOM 0 HB VAL A 18 13.576 3.418 -1.464 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.461 1.218 -1.512 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.301 2.542 -1.252 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.432 1.775 -2.853 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.512 1.594 -2.824 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.572 2.161 -4.224 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.849 3.190 -3.534 1.00 0.23 H new ATOM 278 N LYS A 19 14.119 5.470 -4.327 1.00 0.24 N ATOM 279 CA LYS A 19 15.122 6.495 -4.575 1.00 0.29 C ATOM 280 C LYS A 19 14.475 7.850 -4.836 1.00 0.30 C ATOM 281 O LYS A 19 15.062 8.893 -4.548 1.00 0.34 O ATOM 282 CB LYS A 19 16.021 6.109 -5.749 1.00 0.33 C ATOM 283 CG LYS A 19 17.100 5.106 -5.382 1.00 0.41 C ATOM 284 CD LYS A 19 18.131 5.715 -4.443 1.00 0.54 C ATOM 285 CE LYS A 19 18.720 4.661 -3.528 1.00 0.87 C ATOM 286 NZ LYS A 19 19.764 5.224 -2.637 1.00 1.18 N ATOM 0 H LYS A 19 13.992 4.803 -5.088 1.00 0.24 H new ATOM 0 HA LYS A 19 15.735 6.574 -3.677 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.405 5.693 -6.546 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.492 7.008 -6.147 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.644 4.236 -4.909 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.594 4.754 -6.287 1.00 0.41 H new ATOM 0 HD2 LYS A 19 18.926 6.183 -5.024 1.00 0.54 H new ATOM 0 HD3 LYS A 19 17.667 6.501 -3.847 1.00 0.54 H new ATOM 0 HE2 LYS A 19 17.927 4.220 -2.924 1.00 0.87 H new ATOM 0 HE3 LYS A 19 19.149 3.858 -4.128 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 20.142 4.472 -2.027 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.533 5.623 -3.212 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 19.349 5.973 -2.046 1.00 1.18 H new ATOM 300 N LYS A 20 13.261 7.835 -5.369 1.00 0.29 N ATOM 301 CA LYS A 20 12.545 9.070 -5.673 1.00 0.32 C ATOM 302 C LYS A 20 11.948 9.687 -4.410 1.00 0.31 C ATOM 303 O LYS A 20 11.974 10.905 -4.234 1.00 0.36 O ATOM 304 CB LYS A 20 11.431 8.809 -6.692 1.00 0.35 C ATOM 305 CG LYS A 20 10.834 10.075 -7.284 1.00 0.58 C ATOM 306 CD LYS A 20 11.807 10.754 -8.232 1.00 0.73 C ATOM 307 CE LYS A 20 11.130 11.844 -9.047 1.00 0.71 C ATOM 308 NZ LYS A 20 12.026 12.377 -10.107 1.00 0.88 N ATOM 0 H LYS A 20 12.750 6.983 -5.600 1.00 0.29 H new ATOM 0 HA LYS A 20 13.264 9.771 -6.097 1.00 0.32 H new ATOM 0 HB2 LYS A 20 11.827 8.193 -7.499 1.00 0.35 H new ATOM 0 HB3 LYS A 20 10.639 8.235 -6.212 1.00 0.35 H new ATOM 0 HG2 LYS A 20 9.915 9.831 -7.816 1.00 0.58 H new ATOM 0 HG3 LYS A 20 10.565 10.762 -6.482 1.00 0.58 H new ATOM 0 HD2 LYS A 20 12.630 11.184 -7.662 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.238 10.012 -8.904 1.00 0.73 H new ATOM 0 HE2 LYS A 20 10.223 11.447 -9.503 1.00 0.71 H new ATOM 0 HE3 LYS A 20 10.825 12.656 -8.386 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 11.529 13.118 -10.641 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 12.880 12.779 -9.670 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 12.297 11.607 -10.752 1.00 0.88 H new ATOM 322 N ILE A 21 11.426 8.841 -3.526 1.00 0.28 N ATOM 323 CA ILE A 21 10.814 9.318 -2.290 1.00 0.30 C ATOM 324 C ILE A 21 11.862 9.625 -1.221 1.00 0.32 C ATOM 325 O ILE A 21 11.538 10.145 -0.152 1.00 0.39 O ATOM 326 CB ILE A 21 9.786 8.309 -1.732 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.447 6.951 -1.499 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.608 8.171 -2.689 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.704 6.074 -0.515 1.00 0.30 C ATOM 0 H ILE A 21 11.414 7.828 -3.642 1.00 0.28 H new ATOM 0 HA ILE A 21 10.293 10.241 -2.543 1.00 0.30 H new ATOM 0 HB ILE A 21 9.415 8.681 -0.777 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.526 6.427 -2.452 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.463 7.109 -1.137 1.00 0.24 H new ATOM 0 HG21 ILE A 21 7.891 7.457 -2.283 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.124 9.140 -2.813 1.00 0.31 H new ATOM 0 HG23 ILE A 21 8.965 7.817 -3.656 1.00 0.31 H new ATOM 0 HD11 ILE A 21 10.232 5.127 -0.401 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.648 6.577 0.450 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.696 5.885 -0.885 1.00 0.30 H new ATOM 341 N GLY A 22 13.116 9.296 -1.511 1.00 0.31 N ATOM 342 CA GLY A 22 14.189 9.570 -0.573 1.00 0.36 C ATOM 343 C GLY A 22 14.167 8.661 0.640 1.00 0.34 C ATOM 344 O GLY A 22 14.448 9.099 1.757 1.00 0.39 O ATOM 0 H GLY A 22 13.409 8.845 -2.378 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.146 9.461 -1.083 1.00 0.36 H new ATOM 0 HA3 GLY A 22 14.119 10.607 -0.244 1.00 0.36 H new ATOM 348 N LEU A 23 13.825 7.400 0.425 1.00 0.28 N ATOM 349 CA LEU A 23 13.774 6.420 1.503 1.00 0.27 C ATOM 350 C LEU A 23 15.190 6.034 1.930 1.00 0.28 C ATOM 351 O LEU A 23 16.072 5.871 1.087 1.00 0.28 O ATOM 352 CB LEU A 23 12.996 5.179 1.030 1.00 0.24 C ATOM 353 CG LEU A 23 12.614 4.161 2.115 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.620 4.750 3.101 1.00 0.31 C ATOM 355 CD2 LEU A 23 12.028 2.911 1.485 1.00 0.25 C ATOM 0 H LEU A 23 13.577 7.028 -0.492 1.00 0.28 H new ATOM 0 HA LEU A 23 13.263 6.853 2.363 1.00 0.27 H new ATOM 0 HB2 LEU A 23 12.083 5.514 0.539 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.594 4.667 0.276 1.00 0.24 H new ATOM 0 HG LEU A 23 13.523 3.901 2.657 1.00 0.26 H new ATOM 0 HD11 LEU A 23 11.371 4.004 3.856 1.00 0.31 H new ATOM 0 HD12 LEU A 23 12.060 5.622 3.584 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.715 5.047 2.571 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.763 2.200 2.267 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.136 3.174 0.916 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.764 2.460 0.819 1.00 0.25 H new ATOM 367 N PRO A 24 15.449 5.947 3.241 1.00 0.30 N ATOM 368 CA PRO A 24 16.764 5.559 3.762 1.00 0.32 C ATOM 369 C PRO A 24 17.096 4.108 3.433 1.00 0.30 C ATOM 370 O PRO A 24 16.228 3.236 3.498 1.00 0.28 O ATOM 371 CB PRO A 24 16.618 5.724 5.275 1.00 0.37 C ATOM 372 CG PRO A 24 15.157 5.653 5.532 1.00 0.36 C ATOM 373 CD PRO A 24 14.495 6.245 4.323 1.00 0.33 C ATOM 0 HA PRO A 24 17.565 6.158 3.329 1.00 0.32 H new ATOM 0 HB2 PRO A 24 17.151 4.939 5.811 1.00 0.37 H new ATOM 0 HB3 PRO A 24 17.032 6.675 5.610 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.838 4.622 5.686 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.892 6.207 6.433 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.520 5.795 4.136 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.335 7.317 4.435 1.00 0.33 H new ATOM 381 N ALA A 25 18.358 3.854 3.102 1.00 0.32 N ATOM 382 CA ALA A 25 18.821 2.512 2.758 1.00 0.34 C ATOM 383 C ALA A 25 18.479 1.511 3.851 1.00 0.35 C ATOM 384 O ALA A 25 18.151 0.356 3.572 1.00 0.36 O ATOM 385 CB ALA A 25 20.319 2.512 2.508 1.00 0.39 C ATOM 0 H ALA A 25 19.086 4.568 3.064 1.00 0.32 H new ATOM 0 HA ALA A 25 18.307 2.211 1.845 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.645 1.504 2.253 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.550 3.187 1.684 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.838 2.845 3.407 1.00 0.39 H new ATOM 391 N ASP A 26 18.542 1.973 5.093 1.00 0.37 N ATOM 392 CA ASP A 26 18.246 1.136 6.251 1.00 0.40 C ATOM 393 C ASP A 26 16.869 0.501 6.144 1.00 0.38 C ATOM 394 O ASP A 26 16.688 -0.673 6.468 1.00 0.42 O ATOM 395 CB ASP A 26 18.318 1.964 7.535 1.00 0.46 C ATOM 396 CG ASP A 26 19.553 1.653 8.346 1.00 1.27 C ATOM 397 OD1 ASP A 26 20.624 2.217 8.038 1.00 2.03 O ATOM 398 OD2 ASP A 26 19.463 0.848 9.294 1.00 2.03 O ATOM 0 H ASP A 26 18.798 2.932 5.327 1.00 0.37 H new ATOM 0 HA ASP A 26 18.993 0.342 6.279 1.00 0.40 H new ATOM 0 HB2 ASP A 26 18.309 3.024 7.282 1.00 0.46 H new ATOM 0 HB3 ASP A 26 17.431 1.772 8.139 1.00 0.46 H new ATOM 403 N LYS A 27 15.904 1.282 5.683 1.00 0.35 N ATOM 404 CA LYS A 27 14.538 0.802 5.541 1.00 0.36 C ATOM 405 C LYS A 27 14.328 0.173 4.171 1.00 0.32 C ATOM 406 O LYS A 27 13.563 -0.779 4.030 1.00 0.33 O ATOM 407 CB LYS A 27 13.542 1.940 5.759 1.00 0.39 C ATOM 408 CG LYS A 27 13.654 2.614 7.121 1.00 0.41 C ATOM 409 CD LYS A 27 13.463 1.616 8.256 1.00 0.48 C ATOM 410 CE LYS A 27 13.548 2.298 9.612 1.00 0.72 C ATOM 411 NZ LYS A 27 13.331 1.351 10.739 1.00 0.94 N ATOM 0 H LYS A 27 16.042 2.252 5.400 1.00 0.35 H new ATOM 0 HA LYS A 27 14.366 0.040 6.301 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.688 2.690 4.982 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.531 1.551 5.640 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.631 3.089 7.214 1.00 0.41 H new ATOM 0 HG3 LYS A 27 12.907 3.403 7.200 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.495 1.126 8.153 1.00 0.48 H new ATOM 0 HD3 LYS A 27 14.223 0.837 8.190 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.526 2.767 9.719 1.00 0.72 H new ATOM 0 HE3 LYS A 27 12.805 3.094 9.662 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 13.399 1.864 11.641 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 12.388 0.922 10.655 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 14.055 0.605 10.710 1.00 0.94 H new ATOM 425 N ILE A 28 15.008 0.716 3.165 1.00 0.30 N ATOM 426 CA ILE A 28 14.902 0.216 1.797 1.00 0.29 C ATOM 427 C ILE A 28 15.262 -1.268 1.731 1.00 0.34 C ATOM 428 O ILE A 28 14.498 -2.086 1.222 1.00 0.37 O ATOM 429 CB ILE A 28 15.842 0.978 0.828 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.341 2.394 0.563 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.978 0.227 -0.488 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.277 3.205 -0.305 1.00 0.26 C ATOM 0 H ILE A 28 15.642 1.507 3.273 1.00 0.30 H new ATOM 0 HA ILE A 28 13.867 0.371 1.493 1.00 0.29 H new ATOM 0 HB ILE A 28 16.819 1.044 1.306 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.364 2.343 0.083 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.202 2.907 1.515 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.642 0.778 -1.154 1.00 0.35 H new ATOM 0 HG22 ILE A 28 16.393 -0.763 -0.301 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.997 0.128 -0.953 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.862 4.202 -0.455 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.248 3.286 0.184 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.397 2.713 -1.270 1.00 0.26 H new ATOM 444 N GLU A 29 16.434 -1.601 2.255 1.00 0.37 N ATOM 445 CA GLU A 29 16.918 -2.975 2.243 1.00 0.44 C ATOM 446 C GLU A 29 16.173 -3.834 3.255 1.00 0.43 C ATOM 447 O GLU A 29 16.189 -5.063 3.173 1.00 0.47 O ATOM 448 CB GLU A 29 18.416 -3.004 2.532 1.00 0.52 C ATOM 449 CG GLU A 29 19.222 -2.075 1.642 1.00 0.55 C ATOM 450 CD GLU A 29 20.709 -2.182 1.882 1.00 0.94 C ATOM 451 OE1 GLU A 29 21.117 -2.413 3.040 1.00 1.73 O ATOM 452 OE2 GLU A 29 21.478 -2.030 0.913 1.00 1.41 O ATOM 0 H GLU A 29 17.069 -0.936 2.695 1.00 0.37 H new ATOM 0 HA GLU A 29 16.734 -3.389 1.251 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.582 -2.731 3.574 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.783 -4.023 2.407 1.00 0.52 H new ATOM 0 HG2 GLU A 29 19.009 -2.304 0.598 1.00 0.55 H new ATOM 0 HG3 GLU A 29 18.903 -1.047 1.814 1.00 0.55 H new ATOM 459 N MET A 30 15.525 -3.184 4.206 1.00 0.41 N ATOM 460 CA MET A 30 14.771 -3.877 5.235 1.00 0.43 C ATOM 461 C MET A 30 13.386 -4.257 4.719 1.00 0.40 C ATOM 462 O MET A 30 12.827 -5.278 5.110 1.00 0.41 O ATOM 463 CB MET A 30 14.640 -2.976 6.466 1.00 0.45 C ATOM 464 CG MET A 30 13.961 -3.637 7.652 1.00 0.46 C ATOM 465 SD MET A 30 14.937 -4.965 8.370 1.00 0.63 S ATOM 466 CE MET A 30 13.944 -6.367 7.883 1.00 0.97 C ATOM 0 H MET A 30 15.507 -2.167 4.286 1.00 0.41 H new ATOM 0 HA MET A 30 15.301 -4.790 5.507 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.634 -2.646 6.768 1.00 0.45 H new ATOM 0 HB3 MET A 30 14.078 -2.084 6.191 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.763 -2.885 8.416 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.996 -4.033 7.337 1.00 0.46 H new ATOM 0 HE1 MET A 30 13.742 -6.990 8.754 1.00 0.97 H new ATOM 0 HE2 MET A 30 13.002 -6.017 7.461 1.00 0.97 H new ATOM 0 HE3 MET A 30 14.481 -6.951 7.136 1.00 0.97 H new ATOM 476 N GLY A 31 12.843 -3.431 3.831 1.00 0.39 N ATOM 477 CA GLY A 31 11.517 -3.681 3.296 1.00 0.39 C ATOM 478 C GLY A 31 11.501 -4.056 1.829 1.00 0.43 C ATOM 479 O GLY A 31 10.524 -3.778 1.133 1.00 0.51 O ATOM 0 H GLY A 31 13.298 -2.592 3.472 1.00 0.39 H new ATOM 0 HA2 GLY A 31 11.051 -4.482 3.870 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.906 -2.790 3.439 1.00 0.39 H new ATOM 483 N ARG A 32 12.553 -4.692 1.339 1.00 0.43 N ATOM 484 CA ARG A 32 12.589 -5.081 -0.065 1.00 0.50 C ATOM 485 C ARG A 32 12.545 -6.594 -0.206 1.00 0.44 C ATOM 486 O ARG A 32 13.209 -7.317 0.541 1.00 0.49 O ATOM 487 CB ARG A 32 13.816 -4.508 -0.780 1.00 0.60 C ATOM 488 CG ARG A 32 15.146 -5.097 -0.340 1.00 0.78 C ATOM 489 CD ARG A 32 16.252 -4.757 -1.331 1.00 0.71 C ATOM 490 NE ARG A 32 16.238 -3.341 -1.716 1.00 1.31 N ATOM 491 CZ ARG A 32 16.420 -2.899 -2.964 1.00 1.49 C ATOM 492 NH1 ARG A 32 16.650 -3.756 -3.953 1.00 1.65 N ATOM 493 NH2 ARG A 32 16.390 -1.603 -3.230 1.00 2.27 N ATOM 0 H ARG A 32 13.380 -4.947 1.879 1.00 0.43 H new ATOM 0 HA ARG A 32 11.704 -4.662 -0.543 1.00 0.50 H new ATOM 0 HB2 ARG A 32 13.701 -4.668 -1.852 1.00 0.60 H new ATOM 0 HB3 ARG A 32 13.842 -3.430 -0.619 1.00 0.60 H new ATOM 0 HG2 ARG A 32 15.408 -4.715 0.647 1.00 0.78 H new ATOM 0 HG3 ARG A 32 15.055 -6.179 -0.249 1.00 0.78 H new ATOM 0 HD2 ARG A 32 17.219 -5.002 -0.891 1.00 0.71 H new ATOM 0 HD3 ARG A 32 16.141 -5.375 -2.222 1.00 0.71 H new ATOM 0 HE ARG A 32 16.079 -2.649 -0.984 1.00 1.31 H new ATOM 0 HH11 ARG A 32 16.688 -4.757 -3.762 1.00 1.65 H new ATOM 0 HH12 ARG A 32 16.788 -3.413 -4.904 1.00 1.65 H new ATOM 0 HH21 ARG A 32 16.227 -0.932 -2.479 1.00 2.27 H new ATOM 0 HH22 ARG A 32 16.530 -1.275 -4.186 1.00 2.27 H new ATOM 507 N ASN A 33 11.740 -7.058 -1.161 1.00 0.53 N ATOM 508 CA ASN A 33 11.567 -8.490 -1.434 1.00 0.67 C ATOM 509 C ASN A 33 10.970 -9.213 -0.229 1.00 0.59 C ATOM 510 O ASN A 33 10.992 -10.442 -0.149 1.00 0.69 O ATOM 511 CB ASN A 33 12.903 -9.130 -1.830 1.00 0.80 C ATOM 512 CG ASN A 33 13.294 -8.831 -3.262 1.00 1.23 C ATOM 513 OD1 ASN A 33 12.449 -8.783 -4.155 1.00 1.72 O ATOM 514 ND2 ASN A 33 14.580 -8.620 -3.492 1.00 1.78 N ATOM 0 H ASN A 33 11.188 -6.454 -1.769 1.00 0.53 H new ATOM 0 HA ASN A 33 10.872 -8.588 -2.268 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.685 -8.770 -1.162 1.00 0.80 H new ATOM 0 HB3 ASN A 33 12.838 -10.209 -1.693 1.00 0.80 H new ATOM 0 HD21 ASN A 33 14.901 -8.409 -4.437 1.00 1.78 H new ATOM 0 HD22 ASN A 33 15.250 -8.669 -2.724 1.00 1.78 H new ATOM 521 N CYS A 34 10.421 -8.443 0.701 1.00 0.47 N ATOM 522 CA CYS A 34 9.823 -8.999 1.902 1.00 0.41 C ATOM 523 C CYS A 34 8.365 -9.353 1.656 1.00 0.41 C ATOM 524 O CYS A 34 7.703 -8.749 0.810 1.00 0.48 O ATOM 525 CB CYS A 34 9.950 -8.003 3.060 1.00 0.38 C ATOM 526 SG CYS A 34 11.642 -7.446 3.363 1.00 1.16 S ATOM 0 H CYS A 34 10.379 -7.426 0.643 1.00 0.47 H new ATOM 0 HA CYS A 34 10.354 -9.913 2.169 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.324 -7.135 2.851 1.00 0.38 H new ATOM 0 HB3 CYS A 34 9.562 -8.465 3.968 1.00 0.38 H new ATOM 0 HG CYS A 34 11.637 -6.519 4.274 1.00 1.16 H new ATOM 532 N LYS A 35 7.861 -10.333 2.387 1.00 0.39 N ATOM 533 CA LYS A 35 6.482 -10.761 2.220 1.00 0.42 C ATOM 534 C LYS A 35 5.545 -9.991 3.144 1.00 0.38 C ATOM 535 O LYS A 35 5.347 -10.361 4.299 1.00 0.40 O ATOM 536 CB LYS A 35 6.342 -12.275 2.450 1.00 0.47 C ATOM 537 CG LYS A 35 7.264 -12.842 3.525 1.00 0.48 C ATOM 538 CD LYS A 35 8.519 -13.452 2.918 1.00 1.13 C ATOM 539 CE LYS A 35 9.382 -14.125 3.974 1.00 1.64 C ATOM 540 NZ LYS A 35 10.642 -14.668 3.403 1.00 2.49 N ATOM 0 H LYS A 35 8.383 -10.845 3.098 1.00 0.39 H new ATOM 0 HA LYS A 35 6.195 -10.542 1.192 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.310 -12.494 2.723 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.540 -12.792 1.511 1.00 0.47 H new ATOM 0 HG2 LYS A 35 7.543 -12.051 4.221 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.731 -13.599 4.100 1.00 0.48 H new ATOM 0 HD2 LYS A 35 8.239 -14.181 2.158 1.00 1.13 H new ATOM 0 HD3 LYS A 35 9.096 -12.675 2.417 1.00 1.13 H new ATOM 0 HE2 LYS A 35 9.620 -13.407 4.759 1.00 1.64 H new ATOM 0 HE3 LYS A 35 8.819 -14.933 4.441 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 11.199 -15.118 4.157 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 10.417 -15.373 2.672 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 11.193 -13.894 2.980 1.00 2.49 H new ATOM 554 N ILE A 36 5.003 -8.896 2.634 1.00 0.36 N ATOM 555 CA ILE A 36 4.066 -8.084 3.390 1.00 0.34 C ATOM 556 C ILE A 36 2.647 -8.567 3.110 1.00 0.33 C ATOM 557 O ILE A 36 2.182 -8.520 1.970 1.00 0.41 O ATOM 558 CB ILE A 36 4.181 -6.578 3.045 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.496 -5.990 3.568 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.008 -5.797 3.621 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.698 -6.265 2.691 1.00 0.66 C ATOM 0 H ILE A 36 5.198 -8.549 1.695 1.00 0.36 H new ATOM 0 HA ILE A 36 4.307 -8.194 4.447 1.00 0.34 H new ATOM 0 HB ILE A 36 4.166 -6.491 1.959 1.00 0.41 H new ATOM 0 HG12 ILE A 36 5.380 -4.912 3.676 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.689 -6.391 4.563 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.112 -4.743 3.365 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.076 -6.181 3.206 1.00 0.32 H new ATOM 0 HG23 ILE A 36 2.995 -5.907 4.705 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.584 -5.813 3.136 1.00 0.66 H new ATOM 0 HD12 ILE A 36 6.845 -7.341 2.602 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.532 -5.839 1.702 1.00 0.66 H new ATOM 573 N VAL A 37 1.975 -9.048 4.146 1.00 0.29 N ATOM 574 CA VAL A 37 0.614 -9.550 4.011 1.00 0.29 C ATOM 575 C VAL A 37 -0.389 -8.410 4.153 1.00 0.30 C ATOM 576 O VAL A 37 -0.244 -7.561 5.026 1.00 0.37 O ATOM 577 CB VAL A 37 0.293 -10.626 5.071 1.00 0.29 C ATOM 578 CG1 VAL A 37 -0.947 -11.418 4.681 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.485 -11.553 5.286 1.00 0.32 C ATOM 0 H VAL A 37 2.351 -9.102 5.093 1.00 0.29 H new ATOM 0 HA VAL A 37 0.536 -9.999 3.021 1.00 0.29 H new ATOM 0 HB VAL A 37 0.088 -10.119 6.014 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.153 -12.170 5.443 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.799 -10.743 4.598 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.778 -11.909 3.723 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.233 -12.302 6.037 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.734 -12.050 4.348 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.342 -10.971 5.627 1.00 0.32 H new ATOM 589 N THR A 38 -1.391 -8.390 3.289 1.00 0.25 N ATOM 590 CA THR A 38 -2.412 -7.357 3.336 1.00 0.26 C ATOM 591 C THR A 38 -3.790 -7.966 3.592 1.00 0.24 C ATOM 592 O THR A 38 -4.368 -8.593 2.711 1.00 0.23 O ATOM 593 CB THR A 38 -2.441 -6.540 2.028 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.175 -5.896 1.834 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.550 -5.497 2.050 1.00 0.30 C ATOM 0 H THR A 38 -1.519 -9.078 2.547 1.00 0.25 H new ATOM 0 HA THR A 38 -2.160 -6.688 4.159 1.00 0.26 H new ATOM 0 HB THR A 38 -2.638 -7.225 1.204 1.00 0.27 H new ATOM 0 HG1 THR A 38 -1.148 -5.065 2.352 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.543 -4.939 1.114 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.513 -5.993 2.170 1.00 0.30 H new ATOM 0 HG23 THR A 38 -3.389 -4.812 2.882 1.00 0.30 H new ATOM 603 N GLU A 39 -4.305 -7.795 4.802 1.00 0.25 N ATOM 604 CA GLU A 39 -5.615 -8.323 5.155 1.00 0.25 C ATOM 605 C GLU A 39 -6.673 -7.250 4.970 1.00 0.24 C ATOM 606 O GLU A 39 -6.598 -6.190 5.597 1.00 0.28 O ATOM 607 CB GLU A 39 -5.625 -8.821 6.596 1.00 0.28 C ATOM 608 CG GLU A 39 -4.560 -9.865 6.883 1.00 0.38 C ATOM 609 CD GLU A 39 -4.844 -10.650 8.142 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.414 -10.224 9.232 1.00 1.24 O ATOM 611 OE2 GLU A 39 -5.511 -11.700 8.047 1.00 1.39 O ATOM 0 H GLU A 39 -3.835 -7.294 5.556 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.837 -9.164 4.498 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.482 -7.973 7.266 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.605 -9.242 6.820 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.491 -10.551 6.039 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.591 -9.375 6.975 1.00 0.38 H new ATOM 618 N VAL A 40 -7.638 -7.520 4.101 1.00 0.20 N ATOM 619 CA VAL A 40 -8.705 -6.568 3.812 1.00 0.20 C ATOM 620 C VAL A 40 -10.066 -7.089 4.268 1.00 0.21 C ATOM 621 O VAL A 40 -10.442 -8.227 3.968 1.00 0.20 O ATOM 622 CB VAL A 40 -8.787 -6.255 2.301 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.895 -5.249 2.007 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.446 -5.755 1.782 1.00 0.22 C ATOM 0 H VAL A 40 -7.705 -8.395 3.581 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.461 -5.660 4.364 1.00 0.20 H new ATOM 0 HB VAL A 40 -9.031 -7.180 1.778 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.929 -5.048 0.936 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.852 -5.657 2.330 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.696 -4.322 2.544 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.525 -5.540 0.716 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.165 -4.847 2.315 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.686 -6.519 1.943 1.00 0.22 H new ATOM 634 N VAL A 41 -10.788 -6.260 5.010 1.00 0.24 N ATOM 635 CA VAL A 41 -12.125 -6.596 5.480 1.00 0.27 C ATOM 636 C VAL A 41 -13.125 -5.652 4.820 1.00 0.29 C ATOM 637 O VAL A 41 -12.937 -4.436 4.842 1.00 0.31 O ATOM 638 CB VAL A 41 -12.244 -6.474 7.016 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.623 -6.896 7.495 1.00 0.70 C ATOM 640 CG2 VAL A 41 -11.163 -7.292 7.706 1.00 0.95 C ATOM 0 H VAL A 41 -10.464 -5.338 5.302 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.332 -7.633 5.214 1.00 0.27 H new ATOM 0 HB VAL A 41 -12.104 -5.426 7.280 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.677 -6.800 8.579 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.379 -6.258 7.036 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.804 -7.933 7.214 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -11.265 -7.192 8.787 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.267 -8.341 7.427 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -10.182 -6.930 7.399 1.00 0.95 H new ATOM 650 N GLN A 42 -14.167 -6.201 4.216 1.00 0.31 N ATOM 651 CA GLN A 42 -15.163 -5.377 3.548 1.00 0.36 C ATOM 652 C GLN A 42 -16.237 -4.919 4.523 1.00 0.30 C ATOM 653 O GLN A 42 -17.060 -5.711 4.986 1.00 0.42 O ATOM 654 CB GLN A 42 -15.799 -6.134 2.381 1.00 0.53 C ATOM 655 CG GLN A 42 -16.350 -5.224 1.291 1.00 1.14 C ATOM 656 CD GLN A 42 -16.687 -5.966 0.011 1.00 1.35 C ATOM 657 OE1 GLN A 42 -15.847 -6.114 -0.878 1.00 2.06 O ATOM 658 NE2 GLN A 42 -17.921 -6.431 -0.101 1.00 1.59 N ATOM 0 H GLN A 42 -14.345 -7.205 4.174 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.656 -4.495 3.157 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -15.056 -6.802 1.944 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -16.606 -6.760 2.762 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -17.245 -4.725 1.661 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -15.619 -4.446 1.071 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -18.590 -6.290 0.656 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -18.203 -6.931 -0.944 1.00 1.59 H new ATOM 667 N ASN A 43 -16.202 -3.637 4.848 1.00 0.30 N ATOM 668 CA ASN A 43 -17.166 -3.041 5.754 1.00 0.37 C ATOM 669 C ASN A 43 -17.909 -1.913 5.033 1.00 0.34 C ATOM 670 O ASN A 43 -17.669 -0.733 5.276 1.00 0.37 O ATOM 671 CB ASN A 43 -16.444 -2.517 7.006 1.00 0.53 C ATOM 672 CG ASN A 43 -17.354 -1.781 7.972 1.00 0.97 C ATOM 673 OD1 ASN A 43 -18.507 -2.172 8.195 1.00 1.44 O ATOM 674 ND2 ASN A 43 -16.842 -0.705 8.551 1.00 1.73 N ATOM 0 H ASN A 43 -15.506 -2.983 4.491 1.00 0.30 H new ATOM 0 HA ASN A 43 -17.894 -3.789 6.069 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -15.980 -3.356 7.525 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -15.640 -1.849 6.698 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -17.403 -0.164 9.209 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -15.887 -0.418 8.339 1.00 1.73 H new ATOM 681 N GLY A 44 -18.805 -2.293 4.126 1.00 0.35 N ATOM 682 CA GLY A 44 -19.559 -1.316 3.361 1.00 0.37 C ATOM 683 C GLY A 44 -18.657 -0.546 2.422 1.00 0.34 C ATOM 684 O GLY A 44 -18.259 -1.052 1.374 1.00 0.40 O ATOM 0 H GLY A 44 -19.023 -3.265 3.907 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.339 -1.820 2.790 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.058 -0.624 4.040 1.00 0.37 H new ATOM 688 N ASN A 45 -18.321 0.677 2.801 1.00 0.31 N ATOM 689 CA ASN A 45 -17.435 1.507 1.998 1.00 0.29 C ATOM 690 C ASN A 45 -16.162 1.774 2.774 1.00 0.28 C ATOM 691 O ASN A 45 -15.341 2.616 2.402 1.00 0.29 O ATOM 692 CB ASN A 45 -18.110 2.821 1.598 1.00 0.32 C ATOM 693 CG ASN A 45 -18.558 2.805 0.149 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.494 3.816 -0.549 1.00 0.41 O ATOM 695 ND2 ASN A 45 -19.026 1.654 -0.311 1.00 0.43 N ATOM 0 H ASN A 45 -18.649 1.118 3.661 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.195 0.974 1.078 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -18.971 2.999 2.243 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.418 3.648 1.755 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -19.349 1.584 -1.276 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -19.063 0.838 0.300 1.00 0.43 H new ATOM 702 N ASP A 46 -16.015 1.038 3.861 1.00 0.30 N ATOM 703 CA ASP A 46 -14.858 1.143 4.728 1.00 0.29 C ATOM 704 C ASP A 46 -14.001 -0.105 4.579 1.00 0.28 C ATOM 705 O ASP A 46 -14.418 -1.204 4.944 1.00 0.36 O ATOM 706 CB ASP A 46 -15.314 1.313 6.181 1.00 0.33 C ATOM 707 CG ASP A 46 -14.168 1.378 7.166 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.532 2.451 7.275 1.00 1.36 O ATOM 709 OD2 ASP A 46 -13.923 0.375 7.863 1.00 1.29 O ATOM 0 H ASP A 46 -16.700 0.347 4.168 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.265 2.014 4.447 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -15.907 2.224 6.264 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.967 0.482 6.449 1.00 0.33 H new ATOM 714 N PHE A 47 -12.830 0.055 3.992 1.00 0.23 N ATOM 715 CA PHE A 47 -11.925 -1.058 3.791 1.00 0.23 C ATOM 716 C PHE A 47 -10.728 -0.951 4.724 1.00 0.23 C ATOM 717 O PHE A 47 -10.081 0.098 4.819 1.00 0.24 O ATOM 718 CB PHE A 47 -11.463 -1.116 2.333 1.00 0.25 C ATOM 719 CG PHE A 47 -12.593 -1.288 1.360 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.333 -0.196 0.944 1.00 0.97 C ATOM 721 CD2 PHE A 47 -12.920 -2.541 0.873 1.00 0.81 C ATOM 722 CE1 PHE A 47 -14.379 -0.347 0.059 1.00 1.00 C ATOM 723 CE2 PHE A 47 -13.965 -2.699 -0.016 1.00 0.82 C ATOM 724 CZ PHE A 47 -14.697 -1.601 -0.421 1.00 0.34 C ATOM 0 H PHE A 47 -12.483 0.949 3.645 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.459 -1.980 4.022 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -10.922 -0.200 2.093 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.761 -1.941 2.214 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.088 0.787 1.317 1.00 0.97 H new ATOM 0 HD2 PHE A 47 -12.353 -3.403 1.191 1.00 0.81 H new ATOM 0 HE1 PHE A 47 -14.948 0.514 -0.258 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -14.209 -3.681 -0.394 1.00 0.82 H new ATOM 0 HZ PHE A 47 -15.517 -1.723 -1.113 1.00 0.34 H new ATOM 734 N THR A 48 -10.453 -2.029 5.429 1.00 0.26 N ATOM 735 CA THR A 48 -9.344 -2.071 6.352 1.00 0.27 C ATOM 736 C THR A 48 -8.087 -2.600 5.676 1.00 0.28 C ATOM 737 O THR A 48 -8.059 -3.737 5.203 1.00 0.38 O ATOM 738 CB THR A 48 -9.683 -2.960 7.553 1.00 0.29 C ATOM 739 OG1 THR A 48 -10.585 -3.993 7.145 1.00 0.53 O ATOM 740 CG2 THR A 48 -10.318 -2.153 8.673 1.00 0.56 C ATOM 0 H THR A 48 -10.990 -2.895 5.377 1.00 0.26 H new ATOM 0 HA THR A 48 -9.158 -1.052 6.692 1.00 0.27 H new ATOM 0 HB THR A 48 -8.756 -3.396 7.925 1.00 0.29 H new ATOM 0 HG1 THR A 48 -10.125 -4.858 7.171 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.547 -2.811 9.511 1.00 0.56 H new ATOM 0 HG22 THR A 48 -9.626 -1.377 9.000 1.00 0.56 H new ATOM 0 HG23 THR A 48 -11.237 -1.691 8.313 1.00 0.56 H new ATOM 748 N TRP A 49 -7.055 -1.770 5.611 1.00 0.23 N ATOM 749 CA TRP A 49 -5.797 -2.172 5.004 1.00 0.23 C ATOM 750 C TRP A 49 -4.805 -2.572 6.091 1.00 0.23 C ATOM 751 O TRP A 49 -4.269 -1.723 6.809 1.00 0.24 O ATOM 752 CB TRP A 49 -5.232 -1.043 4.143 1.00 0.25 C ATOM 753 CG TRP A 49 -5.006 -1.436 2.712 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.806 -1.533 2.076 1.00 0.34 C ATOM 755 CD2 TRP A 49 -6.006 -1.776 1.742 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.993 -1.928 0.775 1.00 0.38 N ATOM 757 CE2 TRP A 49 -5.335 -2.077 0.543 1.00 0.36 C ATOM 758 CE3 TRP A 49 -7.401 -1.856 1.773 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -6.015 -2.455 -0.614 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -8.071 -2.233 0.627 1.00 0.38 C ATOM 761 CH2 TRP A 49 -7.378 -2.523 -0.555 1.00 0.42 C ATOM 0 H TRP A 49 -7.066 -0.816 5.971 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.974 -3.031 4.357 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.917 -0.195 4.175 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.288 -0.707 4.572 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.847 -1.329 2.529 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -3.253 -2.085 0.091 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.945 -1.627 2.678 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -5.483 -2.686 -1.525 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -9.148 -2.306 0.642 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.932 -2.806 -1.438 1.00 0.42 H new ATOM 772 N THR A 50 -4.596 -3.868 6.232 1.00 0.22 N ATOM 773 CA THR A 50 -3.682 -4.397 7.227 1.00 0.24 C ATOM 774 C THR A 50 -2.408 -4.912 6.571 1.00 0.25 C ATOM 775 O THR A 50 -2.465 -5.818 5.747 1.00 0.35 O ATOM 776 CB THR A 50 -4.345 -5.543 8.004 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.723 -5.226 8.246 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.633 -5.796 9.322 1.00 0.28 C ATOM 0 H THR A 50 -5.053 -4.581 5.663 1.00 0.22 H new ATOM 0 HA THR A 50 -3.429 -3.588 7.913 1.00 0.24 H new ATOM 0 HB THR A 50 -4.277 -6.450 7.404 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.255 -5.452 7.454 1.00 0.27 H new ATOM 0 HG21 THR A 50 -4.125 -6.613 9.850 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.594 -6.062 9.129 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.669 -4.895 9.934 1.00 0.28 H new ATOM 786 N GLN A 51 -1.272 -4.330 6.935 1.00 0.22 N ATOM 787 CA GLN A 51 0.018 -4.729 6.388 1.00 0.23 C ATOM 788 C GLN A 51 0.847 -5.438 7.452 1.00 0.22 C ATOM 789 O GLN A 51 1.188 -4.845 8.478 1.00 0.24 O ATOM 790 CB GLN A 51 0.796 -3.504 5.900 1.00 0.27 C ATOM 791 CG GLN A 51 0.539 -3.122 4.451 1.00 0.56 C ATOM 792 CD GLN A 51 -0.865 -2.604 4.208 1.00 0.71 C ATOM 793 OE1 GLN A 51 -1.717 -3.453 3.661 1.00 1.62 O flip ATOM 794 NE2 GLN A 51 -1.171 -1.445 4.477 1.00 0.82 N flip ATOM 0 H GLN A 51 -1.219 -3.571 7.615 1.00 0.22 H new ATOM 0 HA GLN A 51 -0.167 -5.403 5.552 1.00 0.23 H new ATOM 0 HB2 GLN A 51 0.545 -2.655 6.535 1.00 0.27 H new ATOM 0 HB3 GLN A 51 1.862 -3.693 6.028 1.00 0.27 H new ATOM 0 HG2 GLN A 51 1.257 -2.359 4.151 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.713 -3.991 3.817 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -0.483 -0.821 4.899 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -2.113 -1.107 4.278 1.00 0.82 H new ATOM 803 N HIS A 52 1.183 -6.692 7.204 1.00 0.22 N ATOM 804 CA HIS A 52 1.978 -7.463 8.145 1.00 0.23 C ATOM 805 C HIS A 52 3.387 -7.652 7.623 1.00 0.23 C ATOM 806 O HIS A 52 3.591 -8.026 6.467 1.00 0.26 O ATOM 807 CB HIS A 52 1.338 -8.825 8.418 1.00 0.24 C ATOM 808 CG HIS A 52 0.035 -8.745 9.148 1.00 0.26 C ATOM 809 ND1 HIS A 52 -0.024 -8.522 10.501 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.221 -8.891 8.666 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.312 -8.532 10.810 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.076 -8.752 9.729 1.00 0.35 N ATOM 0 H HIS A 52 0.918 -7.198 6.359 1.00 0.22 H new ATOM 0 HA HIS A 52 2.018 -6.905 9.081 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.181 -9.339 7.470 1.00 0.24 H new ATOM 0 HB3 HIS A 52 2.032 -9.432 8.999 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.497 -9.081 7.639 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.699 -8.382 11.807 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.094 -8.805 9.703 1.00 0.35 H new ATOM 820 N PHE A 53 4.353 -7.393 8.483 1.00 0.25 N ATOM 821 CA PHE A 53 5.748 -7.522 8.122 1.00 0.27 C ATOM 822 C PHE A 53 6.355 -8.764 8.759 1.00 0.31 C ATOM 823 O PHE A 53 6.091 -9.057 9.925 1.00 0.34 O ATOM 824 CB PHE A 53 6.505 -6.277 8.571 1.00 0.24 C ATOM 825 CG PHE A 53 7.753 -6.017 7.792 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.681 -5.595 6.478 1.00 1.20 C ATOM 827 CD2 PHE A 53 8.995 -6.183 8.375 1.00 1.13 C ATOM 828 CE1 PHE A 53 8.828 -5.340 5.757 1.00 1.23 C ATOM 829 CE2 PHE A 53 10.148 -5.934 7.661 1.00 1.13 C ATOM 830 CZ PHE A 53 10.066 -5.510 6.351 1.00 0.34 C ATOM 0 H PHE A 53 4.193 -7.090 9.444 1.00 0.25 H new ATOM 0 HA PHE A 53 5.826 -7.623 7.039 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.847 -5.412 8.485 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.761 -6.379 9.626 1.00 0.24 H new ATOM 0 HD1 PHE A 53 6.716 -5.464 6.011 1.00 1.20 H new ATOM 0 HD2 PHE A 53 9.063 -6.512 9.402 1.00 1.13 H new ATOM 0 HE1 PHE A 53 8.760 -5.008 4.731 1.00 1.23 H new ATOM 0 HE2 PHE A 53 11.113 -6.071 8.126 1.00 1.13 H new ATOM 0 HZ PHE A 53 10.967 -5.311 5.790 1.00 0.34 H new ATOM 840 N PRO A 54 7.166 -9.515 7.997 1.00 0.35 N ATOM 841 CA PRO A 54 7.810 -10.729 8.501 1.00 0.41 C ATOM 842 C PRO A 54 8.882 -10.413 9.544 1.00 0.39 C ATOM 843 O PRO A 54 9.892 -9.785 9.232 1.00 0.37 O ATOM 844 CB PRO A 54 8.443 -11.343 7.246 1.00 0.46 C ATOM 845 CG PRO A 54 8.620 -10.211 6.291 1.00 0.45 C ATOM 846 CD PRO A 54 7.521 -9.233 6.588 1.00 0.39 C ATOM 0 HA PRO A 54 7.106 -11.393 9.003 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.399 -11.813 7.479 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.803 -12.117 6.822 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.598 -9.746 6.416 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.562 -10.560 5.260 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.856 -8.204 6.459 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.668 -9.376 5.925 1.00 0.39 H new ATOM 854 N GLY A 55 8.655 -10.842 10.780 1.00 0.43 N ATOM 855 CA GLY A 55 9.612 -10.596 11.844 1.00 0.46 C ATOM 856 C GLY A 55 9.813 -9.117 12.121 1.00 0.41 C ATOM 857 O GLY A 55 10.895 -8.699 12.531 1.00 0.43 O ATOM 0 H GLY A 55 7.823 -11.358 11.066 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.271 -11.089 12.755 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.569 -11.045 11.577 1.00 0.46 H new ATOM 861 N GLY A 56 8.774 -8.325 11.902 1.00 0.37 N ATOM 862 CA GLY A 56 8.880 -6.897 12.130 1.00 0.34 C ATOM 863 C GLY A 56 7.591 -6.274 12.624 1.00 0.35 C ATOM 864 O GLY A 56 6.683 -6.975 13.082 1.00 0.41 O ATOM 0 H GLY A 56 7.863 -8.643 11.572 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.669 -6.710 12.858 1.00 0.34 H new ATOM 0 HA3 GLY A 56 9.180 -6.409 11.203 1.00 0.34 H new ATOM 868 N ARG A 57 7.527 -4.953 12.548 1.00 0.34 N ATOM 869 CA ARG A 57 6.364 -4.197 12.994 1.00 0.38 C ATOM 870 C ARG A 57 5.207 -4.306 12.005 1.00 0.31 C ATOM 871 O ARG A 57 5.411 -4.396 10.795 1.00 0.28 O ATOM 872 CB ARG A 57 6.749 -2.727 13.202 1.00 0.45 C ATOM 873 CG ARG A 57 7.217 -2.015 11.935 1.00 0.43 C ATOM 874 CD ARG A 57 6.121 -1.138 11.348 1.00 0.53 C ATOM 875 NE ARG A 57 6.023 0.157 12.032 1.00 1.58 N ATOM 876 CZ ARG A 57 4.895 0.870 12.148 1.00 2.33 C ATOM 877 NH1 ARG A 57 3.765 0.429 11.606 1.00 2.27 N ATOM 878 NH2 ARG A 57 4.908 2.036 12.793 1.00 3.34 N ATOM 0 H ARG A 57 8.280 -4.374 12.175 1.00 0.34 H new ATOM 0 HA ARG A 57 6.028 -4.622 13.940 1.00 0.38 H new ATOM 0 HB2 ARG A 57 5.890 -2.193 13.609 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.541 -2.673 13.949 1.00 0.45 H new ATOM 0 HG2 ARG A 57 8.090 -1.404 12.162 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.528 -2.753 11.196 1.00 0.43 H new ATOM 0 HD2 ARG A 57 6.318 -0.974 10.289 1.00 0.53 H new ATOM 0 HD3 ARG A 57 5.165 -1.658 11.418 1.00 0.53 H new ATOM 0 HE ARG A 57 6.872 0.540 12.447 1.00 1.58 H new ATOM 0 HH11 ARG A 57 3.754 -0.456 11.099 1.00 2.27 H new ATOM 0 HH12 ARG A 57 2.909 0.975 11.697 1.00 2.27 H new ATOM 0 HH21 ARG A 57 5.777 2.385 13.198 1.00 3.34 H new ATOM 0 HH22 ARG A 57 4.049 2.579 12.882 1.00 3.34 H new ATOM 892 N THR A 58 3.993 -4.303 12.527 1.00 0.36 N ATOM 893 CA THR A 58 2.806 -4.389 11.695 1.00 0.31 C ATOM 894 C THR A 58 2.181 -3.008 11.515 1.00 0.28 C ATOM 895 O THR A 58 2.447 -2.087 12.292 1.00 0.33 O ATOM 896 CB THR A 58 1.771 -5.370 12.287 1.00 0.35 C ATOM 897 OG1 THR A 58 0.779 -5.690 11.308 1.00 0.34 O ATOM 898 CG2 THR A 58 1.097 -4.797 13.528 1.00 0.39 C ATOM 0 H THR A 58 3.803 -4.242 13.527 1.00 0.36 H new ATOM 0 HA THR A 58 3.111 -4.771 10.721 1.00 0.31 H new ATOM 0 HB THR A 58 2.306 -6.274 12.578 1.00 0.35 H new ATOM 0 HG1 THR A 58 0.703 -6.664 11.225 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.376 -5.517 13.915 1.00 0.39 H new ATOM 0 HG22 THR A 58 1.850 -4.592 14.289 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.583 -3.872 13.268 1.00 0.39 H new ATOM 906 N THR A 59 1.379 -2.871 10.476 1.00 0.25 N ATOM 907 CA THR A 59 0.719 -1.614 10.174 1.00 0.27 C ATOM 908 C THR A 59 -0.731 -1.880 9.794 1.00 0.24 C ATOM 909 O THR A 59 -1.017 -2.829 9.074 1.00 0.36 O ATOM 910 CB THR A 59 1.443 -0.895 9.018 1.00 0.32 C ATOM 911 OG1 THR A 59 2.836 -1.239 9.034 1.00 0.49 O ATOM 912 CG2 THR A 59 1.295 0.611 9.131 1.00 0.48 C ATOM 0 H THR A 59 1.167 -3.623 9.820 1.00 0.25 H new ATOM 0 HA THR A 59 0.750 -0.974 11.056 1.00 0.27 H new ATOM 0 HB THR A 59 0.990 -1.217 8.080 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.375 -0.422 8.986 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.816 1.091 8.302 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.238 0.876 9.098 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.725 0.949 10.074 1.00 0.48 H new ATOM 920 N THR A 60 -1.653 -1.079 10.299 1.00 0.26 N ATOM 921 CA THR A 60 -3.060 -1.267 9.986 1.00 0.23 C ATOM 922 C THR A 60 -3.799 0.060 9.945 1.00 0.22 C ATOM 923 O THR A 60 -3.868 0.774 10.940 1.00 0.26 O ATOM 924 CB THR A 60 -3.751 -2.193 11.010 1.00 0.25 C ATOM 925 OG1 THR A 60 -2.917 -3.327 11.293 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.097 -2.667 10.481 1.00 0.24 C ATOM 0 H THR A 60 -1.456 -0.297 10.923 1.00 0.26 H new ATOM 0 HA THR A 60 -3.099 -1.733 9.001 1.00 0.23 H new ATOM 0 HB THR A 60 -3.913 -1.628 11.928 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.364 -3.907 11.944 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.568 -3.318 11.217 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.739 -1.806 10.295 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.949 -3.217 9.552 1.00 0.24 H new ATOM 934 N ASN A 61 -4.341 0.395 8.790 1.00 0.25 N ATOM 935 CA ASN A 61 -5.089 1.635 8.633 1.00 0.26 C ATOM 936 C ASN A 61 -6.416 1.375 7.948 1.00 0.29 C ATOM 937 O ASN A 61 -6.478 0.741 6.892 1.00 0.51 O ATOM 938 CB ASN A 61 -4.290 2.698 7.860 1.00 0.36 C ATOM 939 CG ASN A 61 -3.382 2.139 6.773 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.287 2.654 6.554 1.00 1.43 O ATOM 941 ND2 ASN A 61 -3.830 1.113 6.066 1.00 1.72 N ATOM 0 H ASN A 61 -4.279 -0.172 7.944 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.275 2.027 9.633 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.989 3.401 7.406 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -3.683 3.264 8.567 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -3.262 0.726 5.313 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -4.743 0.710 6.275 1.00 1.72 H new ATOM 948 N SER A 62 -7.471 1.858 8.567 1.00 0.21 N ATOM 949 CA SER A 62 -8.811 1.706 8.047 1.00 0.25 C ATOM 950 C SER A 62 -9.243 3.003 7.377 1.00 0.23 C ATOM 951 O SER A 62 -8.933 4.087 7.876 1.00 0.29 O ATOM 952 CB SER A 62 -9.750 1.352 9.197 1.00 0.34 C ATOM 953 OG SER A 62 -9.688 2.338 10.213 1.00 1.04 O ATOM 0 H SER A 62 -7.423 2.369 9.448 1.00 0.21 H new ATOM 0 HA SER A 62 -8.842 0.907 7.306 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.772 1.267 8.827 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.479 0.380 9.609 1.00 0.34 H new ATOM 0 HG SER A 62 -10.297 2.096 10.941 1.00 1.04 H new ATOM 959 N PHE A 63 -9.934 2.908 6.252 1.00 0.18 N ATOM 960 CA PHE A 63 -10.376 4.101 5.552 1.00 0.17 C ATOM 961 C PHE A 63 -11.754 3.904 4.944 1.00 0.18 C ATOM 962 O PHE A 63 -12.104 2.806 4.510 1.00 0.24 O ATOM 963 CB PHE A 63 -9.369 4.480 4.457 1.00 0.17 C ATOM 964 CG PHE A 63 -9.187 3.414 3.410 1.00 0.18 C ATOM 965 CD1 PHE A 63 -10.026 3.359 2.308 1.00 0.88 C ATOM 966 CD2 PHE A 63 -8.183 2.468 3.533 1.00 0.86 C ATOM 967 CE1 PHE A 63 -9.870 2.379 1.354 1.00 0.88 C ATOM 968 CE2 PHE A 63 -8.022 1.484 2.576 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.866 1.442 1.487 1.00 0.23 C ATOM 0 H PHE A 63 -10.198 2.028 5.809 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.437 4.911 6.278 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.700 5.399 3.974 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.405 4.692 4.919 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -10.810 4.093 2.197 1.00 0.88 H new ATOM 0 HD2 PHE A 63 -7.520 2.500 4.385 1.00 0.86 H new ATOM 0 HE1 PHE A 63 -10.533 2.344 0.502 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -7.237 0.750 2.681 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.741 0.675 0.737 1.00 0.23 H new ATOM 979 N THR A 64 -12.530 4.972 4.917 1.00 0.17 N ATOM 980 CA THR A 64 -13.858 4.930 4.348 1.00 0.19 C ATOM 981 C THR A 64 -13.886 5.772 3.076 1.00 0.18 C ATOM 982 O THR A 64 -13.372 6.889 3.064 1.00 0.19 O ATOM 983 CB THR A 64 -14.912 5.437 5.358 1.00 0.21 C ATOM 984 OG1 THR A 64 -14.993 4.549 6.479 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.282 5.567 4.708 1.00 0.22 C ATOM 0 H THR A 64 -12.258 5.883 5.286 1.00 0.17 H new ATOM 0 HA THR A 64 -14.106 3.897 4.105 1.00 0.19 H new ATOM 0 HB THR A 64 -14.598 6.424 5.699 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.259 3.901 6.436 1.00 0.25 H new ATOM 0 HG21 THR A 64 -17.001 5.926 5.444 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.226 6.274 3.880 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.601 4.594 4.333 1.00 0.22 H new ATOM 993 N ILE A 65 -14.424 5.217 1.996 1.00 0.18 N ATOM 994 CA ILE A 65 -14.515 5.937 0.733 1.00 0.18 C ATOM 995 C ILE A 65 -15.249 7.273 0.914 1.00 0.21 C ATOM 996 O ILE A 65 -16.337 7.321 1.491 1.00 0.24 O ATOM 997 CB ILE A 65 -15.227 5.093 -0.342 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.482 3.770 -0.572 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.344 5.868 -1.644 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -13.032 3.938 -0.975 1.00 0.19 C ATOM 0 H ILE A 65 -14.804 4.271 1.970 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.497 6.136 0.400 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.232 4.867 0.015 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.528 3.176 0.341 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -15.000 3.204 -1.346 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.850 5.254 -2.389 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.918 6.779 -1.475 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.348 6.128 -2.003 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.578 2.957 -1.118 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -12.976 4.503 -1.906 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.497 4.475 -0.192 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.611 8.345 0.433 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.130 9.716 0.516 1.00 0.23 C ATOM 1014 C ASP A 66 -15.066 10.219 1.950 1.00 0.23 C ATOM 1015 O ASP A 66 -15.794 11.128 2.350 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.558 9.818 -0.028 1.00 0.27 C ATOM 1017 CG ASP A 66 -16.886 11.218 -0.509 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.334 11.641 -1.547 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -17.694 11.908 0.148 1.00 1.10 O ATOM 0 H ASP A 66 -13.705 8.285 -0.032 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.498 10.347 -0.109 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.683 9.114 -0.851 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.264 9.528 0.750 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.180 9.617 2.723 1.00 0.21 N ATOM 1025 CA LYS A 67 -13.991 9.978 4.113 1.00 0.22 C ATOM 1026 C LYS A 67 -12.500 10.037 4.441 1.00 0.21 C ATOM 1027 O LYS A 67 -11.708 9.269 3.888 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.701 8.957 5.006 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.396 9.105 6.486 1.00 0.25 C ATOM 1030 CD LYS A 67 -15.066 10.335 7.076 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.499 10.658 8.444 1.00 1.15 C ATOM 1032 NZ LYS A 67 -15.305 11.691 9.141 1.00 1.59 N ATOM 0 H LYS A 67 -13.572 8.864 2.403 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.420 10.964 4.295 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.777 9.048 4.858 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.419 7.954 4.687 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.734 8.216 7.018 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.318 9.173 6.631 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.924 11.186 6.409 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.140 10.166 7.154 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -14.468 9.752 9.048 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -13.472 11.007 8.339 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -14.770 12.582 9.179 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -16.195 11.844 8.625 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -15.516 11.372 10.108 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.109 10.967 5.302 1.00 0.24 N ATOM 1047 CA GLU A 68 -10.715 11.086 5.696 1.00 0.26 C ATOM 1048 C GLU A 68 -10.382 10.011 6.723 1.00 0.23 C ATOM 1049 O GLU A 68 -11.186 9.708 7.606 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.412 12.491 6.242 1.00 0.34 C ATOM 1051 CG GLU A 68 -10.954 12.758 7.639 1.00 1.35 C ATOM 1052 CD GLU A 68 -12.392 13.234 7.635 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -13.073 13.090 6.598 1.00 2.55 O ATOM 1054 OE2 GLU A 68 -12.846 13.760 8.675 1.00 2.51 O ATOM 0 H GLU A 68 -12.734 11.645 5.738 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.086 10.940 4.818 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -9.332 12.638 6.251 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -10.828 13.230 5.558 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -10.881 11.846 8.232 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -10.331 13.507 8.128 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.210 9.420 6.598 1.00 0.20 N ATOM 1062 CA ALA A 69 -8.805 8.358 7.501 1.00 0.18 C ATOM 1063 C ALA A 69 -7.411 8.580 8.076 1.00 0.21 C ATOM 1064 O ALA A 69 -6.551 9.195 7.438 1.00 0.31 O ATOM 1065 CB ALA A 69 -8.855 7.029 6.770 1.00 0.18 C ATOM 0 H ALA A 69 -8.522 9.655 5.882 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.501 8.356 8.340 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.551 6.230 7.446 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -9.871 6.843 6.422 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.179 7.058 5.916 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.209 8.076 9.292 1.00 0.20 N ATOM 1072 CA ASP A 70 -5.927 8.171 9.980 1.00 0.24 C ATOM 1073 C ASP A 70 -5.018 7.060 9.478 1.00 0.22 C ATOM 1074 O ASP A 70 -5.296 5.878 9.692 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.127 8.040 11.492 1.00 0.31 C ATOM 1076 CG ASP A 70 -5.434 9.133 12.278 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -4.193 9.091 12.414 1.00 1.87 O ATOM 1078 OD2 ASP A 70 -6.129 10.032 12.789 1.00 1.95 O ATOM 0 H ASP A 70 -7.930 7.591 9.826 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.473 9.141 9.776 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -7.194 8.061 11.715 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -5.752 7.071 11.820 1.00 0.31 H new ATOM 1083 N MET A 71 -3.940 7.424 8.811 1.00 0.20 N ATOM 1084 CA MET A 71 -3.047 6.426 8.260 1.00 0.20 C ATOM 1085 C MET A 71 -1.657 6.492 8.872 1.00 0.22 C ATOM 1086 O MET A 71 -1.302 7.450 9.568 1.00 0.26 O ATOM 1087 CB MET A 71 -2.943 6.601 6.758 1.00 0.22 C ATOM 1088 CG MET A 71 -4.282 6.570 6.060 1.00 0.19 C ATOM 1089 SD MET A 71 -4.280 7.510 4.529 1.00 0.20 S ATOM 1090 CE MET A 71 -6.034 7.626 4.248 1.00 0.20 C ATOM 0 H MET A 71 -3.664 8.391 8.639 1.00 0.20 H new ATOM 0 HA MET A 71 -3.469 5.450 8.499 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.450 7.549 6.543 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.310 5.813 6.350 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.554 5.536 5.848 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.046 6.970 6.727 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.217 8.040 3.256 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.480 6.633 4.315 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.481 8.276 5.001 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.873 5.467 8.582 1.00 0.24 N ATOM 1101 CA GLU A 72 0.489 5.359 9.062 1.00 0.25 C ATOM 1102 C GLU A 72 1.263 4.439 8.125 1.00 0.26 C ATOM 1103 O GLU A 72 0.710 3.462 7.622 1.00 0.29 O ATOM 1104 CB GLU A 72 0.507 4.796 10.492 1.00 0.28 C ATOM 1105 CG GLU A 72 1.841 4.177 10.896 1.00 0.30 C ATOM 1106 CD GLU A 72 1.743 3.305 12.130 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.766 3.849 13.248 1.00 1.47 O ATOM 1108 OE2 GLU A 72 1.652 2.064 11.991 1.00 1.32 O ATOM 0 H GLU A 72 -1.169 4.682 8.002 1.00 0.24 H new ATOM 0 HA GLU A 72 0.953 6.345 9.079 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.263 5.597 11.190 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.275 4.042 10.585 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.224 3.581 10.067 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.564 4.973 11.077 1.00 0.30 H new ATOM 1115 N THR A 73 2.518 4.757 7.861 1.00 0.26 N ATOM 1116 CA THR A 73 3.330 3.922 6.994 1.00 0.28 C ATOM 1117 C THR A 73 4.253 3.045 7.824 1.00 0.30 C ATOM 1118 O THR A 73 4.337 3.197 9.044 1.00 0.36 O ATOM 1119 CB THR A 73 4.180 4.760 6.026 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.207 5.447 6.747 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.321 5.766 5.282 1.00 0.32 C ATOM 0 H THR A 73 2.994 5.580 8.231 1.00 0.26 H new ATOM 0 HA THR A 73 2.647 3.305 6.411 1.00 0.28 H new ATOM 0 HB THR A 73 4.633 4.085 5.299 1.00 0.28 H new ATOM 0 HG1 THR A 73 5.921 5.709 6.129 1.00 0.28 H new ATOM 0 HG21 THR A 73 3.946 6.347 4.603 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.557 5.240 4.711 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.843 6.435 5.997 1.00 0.32 H new ATOM 1129 N MET A 74 4.967 2.147 7.163 1.00 0.32 N ATOM 1130 CA MET A 74 5.888 1.264 7.857 1.00 0.34 C ATOM 1131 C MET A 74 7.122 2.037 8.316 1.00 0.31 C ATOM 1132 O MET A 74 7.904 1.554 9.133 1.00 0.37 O ATOM 1133 CB MET A 74 6.313 0.104 6.956 1.00 0.42 C ATOM 1134 CG MET A 74 5.279 -1.002 6.848 1.00 0.76 C ATOM 1135 SD MET A 74 5.885 -2.421 5.912 1.00 0.93 S ATOM 1136 CE MET A 74 4.553 -3.587 6.182 1.00 1.05 C ATOM 0 H MET A 74 4.926 2.012 6.153 1.00 0.32 H new ATOM 0 HA MET A 74 5.374 0.859 8.729 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.523 0.490 5.959 1.00 0.42 H new ATOM 0 HB3 MET A 74 7.243 -0.318 7.337 1.00 0.42 H new ATOM 0 HG2 MET A 74 4.992 -1.326 7.848 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.381 -0.611 6.369 1.00 0.76 H new ATOM 0 HE1 MET A 74 4.965 -4.540 6.513 1.00 1.05 H new ATOM 0 HE2 MET A 74 3.879 -3.199 6.945 1.00 1.05 H new ATOM 0 HE3 MET A 74 4.003 -3.733 5.252 1.00 1.05 H new ATOM 1146 N GLY A 75 7.295 3.240 7.773 1.00 0.28 N ATOM 1147 CA GLY A 75 8.427 4.071 8.136 1.00 0.31 C ATOM 1148 C GLY A 75 8.161 4.875 9.391 1.00 0.35 C ATOM 1149 O GLY A 75 9.060 5.527 9.933 1.00 0.48 O ATOM 0 H GLY A 75 6.667 3.654 7.085 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.304 3.442 8.287 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.658 4.748 7.314 1.00 0.31 H new ATOM 1153 N GLY A 76 6.918 4.825 9.861 1.00 0.34 N ATOM 1154 CA GLY A 76 6.553 5.543 11.064 1.00 0.39 C ATOM 1155 C GLY A 76 5.968 6.913 10.777 1.00 0.38 C ATOM 1156 O GLY A 76 6.068 7.820 11.606 1.00 0.48 O ATOM 0 H GLY A 76 6.159 4.299 9.428 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.829 4.954 11.627 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.434 5.654 11.696 1.00 0.39 H new ATOM 1160 N ARG A 77 5.359 7.074 9.610 1.00 0.38 N ATOM 1161 CA ARG A 77 4.756 8.352 9.243 1.00 0.38 C ATOM 1162 C ARG A 77 3.300 8.390 9.677 1.00 0.37 C ATOM 1163 O ARG A 77 2.511 7.539 9.281 1.00 0.36 O ATOM 1164 CB ARG A 77 4.838 8.587 7.736 1.00 0.37 C ATOM 1165 CG ARG A 77 6.215 8.346 7.153 1.00 0.39 C ATOM 1166 CD ARG A 77 6.219 8.510 5.641 1.00 0.43 C ATOM 1167 NE ARG A 77 6.848 9.763 5.214 1.00 0.52 N ATOM 1168 CZ ARG A 77 8.007 9.833 4.555 1.00 0.67 C ATOM 1169 NH1 ARG A 77 8.703 8.739 4.294 1.00 0.80 N ATOM 1170 NH2 ARG A 77 8.478 11.011 4.171 1.00 0.85 N ATOM 0 H ARG A 77 5.269 6.343 8.905 1.00 0.38 H new ATOM 0 HA ARG A 77 5.312 9.140 9.752 1.00 0.38 H new ATOM 0 HB2 ARG A 77 4.123 7.933 7.236 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.537 9.612 7.521 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.926 9.043 7.597 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.550 7.341 7.412 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.747 7.670 5.189 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.194 8.478 5.273 1.00 0.43 H new ATOM 0 HE ARG A 77 6.370 10.637 5.434 1.00 0.52 H new ATOM 0 HH11 ARG A 77 8.356 7.829 4.597 1.00 0.80 H new ATOM 0 HH12 ARG A 77 9.587 8.805 3.790 1.00 0.80 H new ATOM 0 HH21 ARG A 77 7.955 11.862 4.379 1.00 0.85 H new ATOM 0 HH22 ARG A 77 9.363 11.067 3.667 1.00 0.85 H new ATOM 1184 N LYS A 78 2.960 9.370 10.500 1.00 0.42 N ATOM 1185 CA LYS A 78 1.593 9.535 10.980 1.00 0.43 C ATOM 1186 C LYS A 78 0.918 10.629 10.170 1.00 0.39 C ATOM 1187 O LYS A 78 1.389 11.768 10.156 1.00 0.44 O ATOM 1188 CB LYS A 78 1.588 9.910 12.465 1.00 0.57 C ATOM 1189 CG LYS A 78 2.448 9.007 13.332 1.00 0.75 C ATOM 1190 CD LYS A 78 1.836 7.627 13.498 1.00 1.12 C ATOM 1191 CE LYS A 78 2.590 6.816 14.537 1.00 1.69 C ATOM 1192 NZ LYS A 78 1.762 5.709 15.082 1.00 1.76 N ATOM 0 H LYS A 78 3.615 10.068 10.852 1.00 0.42 H new ATOM 0 HA LYS A 78 1.053 8.596 10.862 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.936 10.937 12.571 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.562 9.881 12.833 1.00 0.57 H new ATOM 0 HG2 LYS A 78 3.439 8.913 12.887 1.00 0.75 H new ATOM 0 HG3 LYS A 78 2.581 9.465 14.312 1.00 0.75 H new ATOM 0 HD2 LYS A 78 0.791 7.722 13.794 1.00 1.12 H new ATOM 0 HD3 LYS A 78 1.850 7.102 12.543 1.00 1.12 H new ATOM 0 HE2 LYS A 78 3.496 6.406 14.090 1.00 1.69 H new ATOM 0 HE3 LYS A 78 2.903 7.470 15.351 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 2.312 5.179 15.788 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 0.910 6.101 15.531 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 1.484 5.071 14.309 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.185 10.308 9.513 1.00 0.33 N ATOM 1207 CA PHE A 79 -0.857 11.291 8.679 1.00 0.31 C ATOM 1208 C PHE A 79 -2.330 10.956 8.463 1.00 0.28 C ATOM 1209 O PHE A 79 -2.811 9.902 8.874 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.132 11.374 7.334 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.092 10.073 6.590 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.912 9.160 6.853 1.00 1.17 C ATOM 1213 CD2 PHE A 79 -1.047 9.761 5.638 1.00 1.07 C ATOM 1214 CE1 PHE A 79 0.964 7.957 6.189 1.00 1.16 C ATOM 1215 CE2 PHE A 79 -1.002 8.557 4.964 1.00 1.09 C ATOM 1216 CZ PHE A 79 0.005 7.651 5.241 1.00 0.26 C ATOM 0 H PHE A 79 -0.628 9.390 9.539 1.00 0.33 H new ATOM 0 HA PHE A 79 -0.824 12.253 9.190 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.623 12.123 6.712 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.889 11.718 7.502 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.666 9.395 7.590 1.00 1.17 H new ATOM 0 HD2 PHE A 79 -1.835 10.466 5.420 1.00 1.07 H new ATOM 0 HE1 PHE A 79 1.753 7.252 6.408 1.00 1.16 H new ATOM 0 HE2 PHE A 79 -1.751 8.323 4.222 1.00 1.09 H new ATOM 0 HZ PHE A 79 0.042 6.707 4.718 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.039 11.875 7.823 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.452 11.705 7.530 1.00 0.33 C ATOM 1228 C LYS A 80 -4.702 12.082 6.080 1.00 0.27 C ATOM 1229 O LYS A 80 -4.149 13.066 5.590 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.319 12.575 8.454 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.257 12.191 9.928 1.00 0.65 C ATOM 1232 CD LYS A 80 -4.139 12.925 10.651 1.00 0.81 C ATOM 1233 CE LYS A 80 -4.248 12.774 12.160 1.00 1.64 C ATOM 1234 NZ LYS A 80 -3.408 11.660 12.681 1.00 2.55 N ATOM 0 H LYS A 80 -2.650 12.758 7.493 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.725 10.663 7.700 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.008 13.615 8.349 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.355 12.517 8.120 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.210 12.419 10.404 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -5.105 11.115 10.018 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -3.176 12.541 10.316 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.169 13.982 10.388 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -3.948 13.706 12.638 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -5.289 12.598 12.431 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -3.630 11.498 13.684 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -3.604 10.795 12.139 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -2.403 11.909 12.585 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.527 11.310 5.397 1.00 0.24 N ATOM 1249 CA ALA A 81 -5.821 11.571 3.996 1.00 0.20 C ATOM 1250 C ALA A 81 -7.211 11.081 3.626 1.00 0.19 C ATOM 1251 O ALA A 81 -7.807 10.277 4.344 1.00 0.19 O ATOM 1252 CB ALA A 81 -4.779 10.901 3.116 1.00 0.21 C ATOM 0 H ALA A 81 -6.006 10.498 5.787 1.00 0.24 H new ATOM 0 HA ALA A 81 -5.790 12.649 3.836 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.005 11.100 2.068 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -3.792 11.296 3.356 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -4.792 9.825 3.292 1.00 0.21 H new ATOM 1258 N THR A 82 -7.729 11.573 2.510 1.00 0.19 N ATOM 1259 CA THR A 82 -9.045 11.176 2.036 1.00 0.19 C ATOM 1260 C THR A 82 -8.910 10.173 0.889 1.00 0.20 C ATOM 1261 O THR A 82 -8.028 10.303 0.032 1.00 0.28 O ATOM 1262 CB THR A 82 -9.861 12.397 1.571 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.566 13.522 2.417 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.355 12.103 1.619 1.00 0.25 C ATOM 0 H THR A 82 -7.255 12.251 1.914 1.00 0.19 H new ATOM 0 HA THR A 82 -9.575 10.707 2.865 1.00 0.19 H new ATOM 0 HB THR A 82 -9.586 12.624 0.541 1.00 0.23 H new ATOM 0 HG1 THR A 82 -10.084 14.299 2.120 1.00 0.33 H new ATOM 0 HG21 THR A 82 -11.909 12.980 1.286 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.581 11.261 0.965 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.645 11.857 2.641 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.780 9.172 0.883 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.760 8.136 -0.136 1.00 0.15 C ATOM 1274 C VAL A 83 -11.088 8.105 -0.879 1.00 0.16 C ATOM 1275 O VAL A 83 -12.131 8.354 -0.286 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.495 6.752 0.493 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.347 5.692 -0.580 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.264 6.789 1.382 1.00 0.19 C ATOM 0 H VAL A 83 -10.515 9.057 1.581 1.00 0.15 H new ATOM 0 HA VAL A 83 -8.956 8.366 -0.835 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.354 6.493 1.112 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.161 4.725 -0.113 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.263 5.640 -1.169 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.511 5.947 -1.231 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -8.097 5.802 1.814 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.396 7.077 0.789 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.414 7.515 2.181 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.045 7.806 -2.169 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.253 7.744 -2.982 1.00 0.19 C ATOM 1290 C LYS A 84 -12.206 6.519 -3.891 1.00 0.19 C ATOM 1291 O LYS A 84 -11.200 5.808 -3.935 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.399 9.029 -3.805 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.174 9.358 -4.631 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.001 10.852 -4.819 1.00 0.42 C ATOM 1295 CE LYS A 84 -9.633 11.174 -5.405 1.00 0.49 C ATOM 1296 NZ LYS A 84 -9.430 12.637 -5.584 1.00 1.14 N ATOM 0 H LYS A 84 -10.185 7.602 -2.677 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.121 7.655 -2.329 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.259 8.931 -4.468 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.608 9.861 -3.132 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.288 8.949 -4.145 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.254 8.877 -5.606 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -11.781 11.232 -5.478 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.119 11.359 -3.861 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -8.857 10.778 -4.750 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.524 10.673 -6.367 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -8.486 12.810 -5.985 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -10.154 13.012 -6.229 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -9.507 13.113 -4.663 1.00 1.14 H new ATOM 1310 N MET A 85 -13.290 6.269 -4.607 1.00 0.21 N ATOM 1311 CA MET A 85 -13.357 5.125 -5.506 1.00 0.22 C ATOM 1312 C MET A 85 -13.829 5.568 -6.882 1.00 0.28 C ATOM 1313 O MET A 85 -14.788 6.330 -7.000 1.00 0.41 O ATOM 1314 CB MET A 85 -14.309 4.063 -4.953 1.00 0.23 C ATOM 1315 CG MET A 85 -13.648 2.734 -4.636 1.00 0.21 C ATOM 1316 SD MET A 85 -14.834 1.511 -4.047 1.00 0.26 S ATOM 1317 CE MET A 85 -13.745 0.376 -3.195 1.00 0.25 C ATOM 0 H MET A 85 -14.135 6.840 -4.585 1.00 0.21 H new ATOM 0 HA MET A 85 -12.359 4.695 -5.589 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.777 4.448 -4.047 1.00 0.23 H new ATOM 0 HB3 MET A 85 -15.107 3.895 -5.677 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.150 2.355 -5.529 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.877 2.884 -3.880 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.305 -0.510 -2.896 1.00 0.25 H new ATOM 0 HE2 MET A 85 -12.932 0.084 -3.859 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.334 0.861 -2.310 1.00 0.25 H new ATOM 1327 N GLU A 86 -13.145 5.110 -7.918 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.509 5.463 -9.281 1.00 0.32 C ATOM 1329 C GLU A 86 -13.473 4.241 -10.194 1.00 0.29 C ATOM 1330 O GLU A 86 -12.403 3.772 -10.584 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.588 6.557 -9.824 1.00 0.48 C ATOM 1332 CG GLU A 86 -11.128 6.378 -9.443 1.00 1.22 C ATOM 1333 CD GLU A 86 -10.209 7.229 -10.289 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -9.963 8.396 -9.919 1.00 2.46 O ATOM 1335 OE2 GLU A 86 -9.748 6.741 -11.341 1.00 2.67 O ATOM 0 H GLU A 86 -12.336 4.494 -7.842 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.529 5.846 -9.262 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -12.669 6.581 -10.911 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -12.933 7.524 -9.457 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -10.994 6.636 -8.392 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -10.852 5.329 -9.552 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.649 3.719 -10.508 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.748 2.567 -11.387 1.00 0.46 C ATOM 1344 C GLY A 87 -14.276 1.283 -10.738 1.00 0.38 C ATOM 1345 O GLY A 87 -13.682 0.429 -11.398 1.00 0.36 O ATOM 0 H GLY A 87 -15.543 4.074 -10.169 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -15.784 2.447 -11.704 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.159 2.751 -12.285 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.545 1.141 -9.448 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.146 -0.052 -8.731 1.00 0.33 C ATOM 1351 C GLY A 88 -12.672 -0.053 -8.380 1.00 0.27 C ATOM 1352 O GLY A 88 -12.072 -1.111 -8.185 1.00 0.32 O ATOM 0 H GLY A 88 -15.035 1.835 -8.883 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.734 -0.136 -7.817 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.372 -0.929 -9.337 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.085 1.133 -8.309 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.675 1.269 -7.969 1.00 0.19 C ATOM 1358 C LYS A 89 -10.522 2.251 -6.823 1.00 0.17 C ATOM 1359 O LYS A 89 -11.048 3.365 -6.879 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.856 1.756 -9.173 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.133 0.993 -10.455 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.016 1.189 -11.469 1.00 0.52 C ATOM 1363 CE LYS A 89 -9.380 0.595 -12.822 1.00 1.06 C ATOM 1364 NZ LYS A 89 -8.172 0.317 -13.638 1.00 1.76 N ATOM 0 H LYS A 89 -12.564 2.017 -8.483 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.300 0.289 -7.674 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.065 2.813 -9.339 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.795 1.674 -8.935 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -10.242 -0.068 -10.232 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -11.078 1.328 -10.883 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -8.808 2.253 -11.582 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -8.102 0.723 -11.100 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -9.942 -0.328 -12.676 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -10.032 1.284 -13.359 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -8.373 0.524 -14.637 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -7.387 0.916 -13.311 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -7.908 -0.684 -13.538 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.835 1.830 -5.774 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.611 2.695 -4.627 1.00 0.16 C ATOM 1380 C ILE A 90 -8.430 3.614 -4.894 1.00 0.17 C ATOM 1381 O ILE A 90 -7.298 3.151 -5.027 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.339 1.900 -3.330 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.320 0.729 -3.203 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.446 2.820 -2.127 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.496 0.214 -1.786 1.00 0.20 C ATOM 0 H ILE A 90 -9.425 0.900 -5.692 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.524 3.272 -4.484 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.328 1.494 -3.371 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.291 1.040 -3.587 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -9.975 -0.090 -3.835 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.253 2.252 -1.217 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.714 3.622 -2.216 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.448 3.246 -2.083 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.206 -0.613 -1.785 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.536 -0.131 -1.402 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.873 1.016 -1.152 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.704 4.906 -4.980 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.665 5.891 -5.230 1.00 0.17 C ATOM 1399 C VAL A 91 -7.545 6.861 -4.058 1.00 0.16 C ATOM 1400 O VAL A 91 -8.541 7.385 -3.552 1.00 0.16 O ATOM 1401 CB VAL A 91 -7.919 6.671 -6.544 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.282 7.340 -6.539 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -6.825 7.699 -6.794 1.00 0.25 C ATOM 0 H VAL A 91 -9.641 5.297 -4.880 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.725 5.349 -5.338 1.00 0.17 H new ATOM 0 HB VAL A 91 -7.901 5.946 -7.358 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.427 7.878 -7.476 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.059 6.583 -6.432 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.341 8.040 -5.706 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.031 8.230 -7.723 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -6.798 8.410 -5.968 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -5.862 7.194 -6.870 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.318 7.075 -3.619 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.046 7.975 -2.516 1.00 0.19 C ATOM 1415 C ALA A 92 -5.391 9.255 -3.028 1.00 0.20 C ATOM 1416 O ALA A 92 -4.605 9.221 -3.978 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.172 7.275 -1.490 1.00 0.22 C ATOM 0 H ALA A 92 -5.488 6.633 -4.014 1.00 0.18 H new ATOM 0 HA ALA A 92 -6.983 8.254 -2.033 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -4.969 7.954 -0.662 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.687 6.390 -1.116 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.232 6.978 -1.955 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.725 10.380 -2.406 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.184 11.672 -2.811 1.00 0.26 C ATOM 1425 C ASP A 93 -4.001 12.060 -1.941 1.00 0.22 C ATOM 1426 O ASP A 93 -4.125 12.170 -0.718 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.271 12.748 -2.752 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.729 14.154 -2.941 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -5.455 14.542 -4.094 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -5.598 14.886 -1.933 1.00 1.19 O ATOM 0 H ASP A 93 -6.370 10.423 -1.617 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.834 11.588 -3.840 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -7.016 12.546 -3.522 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.781 12.688 -1.791 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.861 12.271 -2.587 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.623 12.640 -1.899 1.00 0.21 C ATOM 1437 C PHE A 94 -0.770 13.545 -2.782 1.00 0.24 C ATOM 1438 O PHE A 94 -0.868 13.490 -4.008 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.811 11.388 -1.557 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.368 10.575 -0.433 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.111 10.926 0.880 1.00 1.14 C ATOM 1442 CD2 PHE A 94 -2.156 9.468 -0.690 1.00 1.26 C ATOM 1443 CE1 PHE A 94 -1.628 10.182 1.919 1.00 1.14 C ATOM 1444 CE2 PHE A 94 -2.680 8.724 0.348 1.00 1.27 C ATOM 1445 CZ PHE A 94 -2.416 9.080 1.652 1.00 0.25 C ATOM 0 H PHE A 94 -2.765 12.192 -3.599 1.00 0.22 H new ATOM 0 HA PHE A 94 -1.893 13.168 -0.984 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.745 10.760 -2.445 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.206 11.688 -1.303 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.500 11.791 1.093 1.00 1.14 H new ATOM 0 HD2 PHE A 94 -2.363 9.183 -1.711 1.00 1.26 H new ATOM 0 HE1 PHE A 94 -1.417 10.461 2.941 1.00 1.14 H new ATOM 0 HE2 PHE A 94 -3.297 7.863 0.138 1.00 1.27 H new ATOM 0 HZ PHE A 94 -2.825 8.498 2.465 1.00 0.25 H new ATOM 1455 N PRO A 95 0.078 14.390 -2.175 1.00 0.26 N ATOM 1456 CA PRO A 95 0.965 15.277 -2.924 1.00 0.29 C ATOM 1457 C PRO A 95 2.072 14.484 -3.616 1.00 0.26 C ATOM 1458 O PRO A 95 2.910 13.864 -2.952 1.00 0.27 O ATOM 1459 CB PRO A 95 1.549 16.200 -1.850 1.00 0.36 C ATOM 1460 CG PRO A 95 1.429 15.447 -0.572 1.00 0.32 C ATOM 1461 CD PRO A 95 0.219 14.565 -0.716 1.00 0.28 C ATOM 0 HA PRO A 95 0.447 15.821 -3.714 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.589 16.444 -2.066 1.00 0.36 H new ATOM 0 HB3 PRO A 95 1.003 17.142 -1.803 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.324 14.853 -0.385 1.00 0.32 H new ATOM 0 HG3 PRO A 95 1.316 16.128 0.272 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.359 13.609 -0.211 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.667 15.028 -0.282 1.00 0.28 H new ATOM 1469 N ASN A 96 2.044 14.486 -4.948 1.00 0.27 N ATOM 1470 CA ASN A 96 3.018 13.772 -5.771 1.00 0.29 C ATOM 1471 C ASN A 96 2.919 12.260 -5.582 1.00 0.28 C ATOM 1472 O ASN A 96 3.776 11.511 -6.058 1.00 0.37 O ATOM 1473 CB ASN A 96 4.441 14.239 -5.466 1.00 0.35 C ATOM 1474 CG ASN A 96 4.828 15.497 -6.219 1.00 0.77 C ATOM 1475 OD1 ASN A 96 4.007 16.391 -6.428 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.081 15.573 -6.633 1.00 1.50 N ATOM 0 H ASN A 96 1.340 14.987 -5.490 1.00 0.27 H new ATOM 0 HA ASN A 96 2.784 14.002 -6.810 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.536 14.420 -4.395 1.00 0.35 H new ATOM 0 HB3 ASN A 96 5.141 13.442 -5.718 1.00 0.35 H new ATOM 0 HD21 ASN A 96 6.399 16.395 -7.147 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.729 14.810 -6.439 1.00 1.50 H new ATOM 1483 N TYR A 97 1.873 11.813 -4.909 1.00 0.23 N ATOM 1484 CA TYR A 97 1.670 10.396 -4.667 1.00 0.21 C ATOM 1485 C TYR A 97 0.270 10.007 -5.115 1.00 0.21 C ATOM 1486 O TYR A 97 -0.721 10.636 -4.742 1.00 0.24 O ATOM 1487 CB TYR A 97 1.885 10.081 -3.184 1.00 0.22 C ATOM 1488 CG TYR A 97 2.159 8.623 -2.887 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.164 7.661 -3.017 1.00 1.28 C ATOM 1490 CD2 TYR A 97 3.416 8.208 -2.469 1.00 1.14 C ATOM 1491 CE1 TYR A 97 1.416 6.330 -2.739 1.00 1.31 C ATOM 1492 CE2 TYR A 97 3.676 6.881 -2.189 1.00 1.14 C ATOM 1493 CZ TYR A 97 2.675 5.943 -2.326 1.00 0.32 C ATOM 1494 OH TYR A 97 2.929 4.620 -2.043 1.00 0.38 O ATOM 0 H TYR A 97 1.148 12.415 -4.519 1.00 0.23 H new ATOM 0 HA TYR A 97 2.393 9.815 -5.240 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.720 10.677 -2.816 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.001 10.393 -2.627 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.177 7.958 -3.341 1.00 1.28 H new ATOM 0 HD2 TYR A 97 4.206 8.937 -2.361 1.00 1.14 H new ATOM 0 HE1 TYR A 97 0.631 5.596 -2.845 1.00 1.31 H new ATOM 0 HE2 TYR A 97 4.661 6.579 -1.864 1.00 1.14 H new ATOM 0 HH TYR A 97 2.354 4.051 -2.596 1.00 0.38 H new ATOM 1504 N HIS A 98 0.207 8.972 -5.924 1.00 0.21 N ATOM 1505 CA HIS A 98 -1.050 8.485 -6.471 1.00 0.22 C ATOM 1506 C HIS A 98 -1.200 7.003 -6.158 1.00 0.21 C ATOM 1507 O HIS A 98 -0.613 6.166 -6.829 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.048 8.726 -7.988 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.265 8.244 -8.721 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.421 8.982 -8.833 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -2.473 7.114 -9.438 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.286 8.334 -9.584 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -3.738 7.195 -9.964 1.00 1.09 N ATOM 0 H HIS A 98 1.024 8.441 -6.224 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.892 9.014 -6.025 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.937 9.795 -8.168 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.172 8.238 -8.414 1.00 0.25 H new ATOM 0 HD1 HIS A 98 -3.583 9.891 -8.400 1.00 0.81 H new ATOM 0 HD2 HIS A 98 -1.774 6.301 -9.571 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.276 8.676 -9.845 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.993 6.697 -5.143 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.204 5.315 -4.720 1.00 0.22 C ATOM 1524 C HIS A 99 -3.513 4.773 -5.282 1.00 0.21 C ATOM 1525 O HIS A 99 -4.581 5.334 -5.031 1.00 0.23 O ATOM 1526 CB HIS A 99 -2.219 5.243 -3.183 1.00 0.26 C ATOM 1527 CG HIS A 99 -2.260 3.852 -2.613 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -1.283 3.400 -1.756 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -3.190 2.881 -2.774 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -1.644 2.176 -1.414 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -2.792 1.819 -2.005 1.00 0.49 N ATOM 0 H HIS A 99 -2.504 7.387 -4.593 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.388 4.702 -5.104 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.333 5.750 -2.802 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -3.084 5.795 -2.817 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -4.075 2.934 -3.390 1.00 0.52 H new ATOM 0 HE1 HIS A 99 -1.084 1.543 -0.742 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -3.277 0.928 -1.902 1.00 0.49 H new ATOM 1539 N THR A 100 -3.422 3.699 -6.053 1.00 0.22 N ATOM 1540 CA THR A 100 -4.596 3.069 -6.632 1.00 0.22 C ATOM 1541 C THR A 100 -4.550 1.553 -6.480 1.00 0.23 C ATOM 1542 O THR A 100 -3.561 0.909 -6.836 1.00 0.31 O ATOM 1543 CB THR A 100 -4.734 3.431 -8.118 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.482 3.239 -8.794 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.163 4.871 -8.258 1.00 0.24 C ATOM 0 H THR A 100 -2.541 3.245 -6.292 1.00 0.22 H new ATOM 0 HA THR A 100 -5.463 3.445 -6.089 1.00 0.22 H new ATOM 0 HB THR A 100 -5.486 2.782 -8.566 1.00 0.23 H new ATOM 0 HG1 THR A 100 -2.747 3.321 -8.151 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.259 5.121 -9.315 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.123 5.014 -7.763 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.417 5.519 -7.798 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.630 0.995 -5.956 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.730 -0.443 -5.758 1.00 0.23 C ATOM 1555 C ALA A 101 -6.909 -1.017 -6.533 1.00 0.22 C ATOM 1556 O ALA A 101 -8.029 -0.495 -6.458 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.858 -0.756 -4.275 1.00 0.26 C ATOM 0 H ALA A 101 -6.453 1.519 -5.659 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.821 -0.910 -6.138 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -5.932 -1.835 -4.136 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -4.981 -0.382 -3.747 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.753 -0.276 -3.878 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.660 -2.087 -7.280 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.701 -2.727 -8.067 1.00 0.23 C ATOM 1565 C GLU A 102 -7.428 -4.217 -8.215 1.00 0.24 C ATOM 1566 O GLU A 102 -6.359 -4.704 -7.843 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.790 -2.097 -9.454 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.571 -2.376 -10.318 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.613 -1.636 -11.640 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -7.362 -2.069 -12.544 1.00 1.38 O ATOM 1571 OE2 GLU A 102 -5.908 -0.624 -11.791 1.00 1.18 O ATOM 0 H GLU A 102 -5.743 -2.528 -7.355 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.646 -2.585 -7.543 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.679 -2.472 -9.960 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -7.914 -1.019 -9.349 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.671 -2.090 -9.774 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.502 -3.447 -10.507 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.390 -4.920 -8.777 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.274 -6.345 -8.996 1.00 0.29 C ATOM 1580 C ILE A 103 -8.167 -6.610 -10.490 1.00 0.31 C ATOM 1581 O ILE A 103 -9.066 -6.265 -11.254 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.491 -7.109 -8.433 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.690 -6.809 -6.941 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.325 -8.602 -8.656 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.541 -7.266 -6.062 1.00 0.37 C ATOM 0 H ILE A 103 -9.273 -4.519 -9.094 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.383 -6.698 -8.476 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.380 -6.771 -8.966 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.828 -5.736 -6.812 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.607 -7.291 -6.603 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -10.191 -9.128 -8.254 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -9.242 -8.803 -9.724 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.423 -8.947 -8.150 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -8.757 -7.018 -5.023 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.415 -8.344 -6.159 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.624 -6.764 -6.372 1.00 0.37 H new ATOM 1597 N SER A 104 -7.066 -7.201 -10.909 1.00 0.34 N ATOM 1598 CA SER A 104 -6.857 -7.493 -12.314 1.00 0.38 C ATOM 1599 C SER A 104 -6.411 -8.934 -12.489 1.00 0.48 C ATOM 1600 O SER A 104 -5.289 -9.290 -12.139 1.00 0.88 O ATOM 1601 CB SER A 104 -5.825 -6.532 -12.898 1.00 0.55 C ATOM 1602 OG SER A 104 -6.330 -5.206 -12.919 1.00 1.37 O ATOM 0 H SER A 104 -6.302 -7.489 -10.297 1.00 0.34 H new ATOM 0 HA SER A 104 -7.797 -7.359 -12.850 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.911 -6.569 -12.306 1.00 0.55 H new ATOM 0 HB3 SER A 104 -5.563 -6.843 -13.909 1.00 0.55 H new ATOM 0 HG SER A 104 -5.654 -4.604 -13.295 1.00 1.37 H new ATOM 1608 N GLY A 105 -7.311 -9.759 -12.999 1.00 0.53 N ATOM 1609 CA GLY A 105 -7.010 -11.161 -13.205 1.00 0.64 C ATOM 1610 C GLY A 105 -7.092 -11.940 -11.912 1.00 0.63 C ATOM 1611 O GLY A 105 -6.414 -12.955 -11.737 1.00 0.96 O ATOM 0 H GLY A 105 -8.252 -9.481 -13.276 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.707 -11.582 -13.929 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -6.011 -11.261 -13.629 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.930 -11.457 -11.003 1.00 0.49 N ATOM 1616 CA GLY A 106 -8.093 -12.099 -9.717 1.00 0.50 C ATOM 1617 C GLY A 106 -6.908 -11.848 -8.804 1.00 0.44 C ATOM 1618 O GLY A 106 -6.605 -12.656 -7.926 1.00 0.48 O ATOM 0 H GLY A 106 -8.503 -10.624 -11.138 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -9.002 -11.732 -9.241 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -8.220 -13.172 -9.861 1.00 0.50 H new ATOM 1622 N LYS A 107 -6.233 -10.724 -9.024 1.00 0.38 N ATOM 1623 CA LYS A 107 -5.066 -10.344 -8.235 1.00 0.35 C ATOM 1624 C LYS A 107 -5.084 -8.862 -7.904 1.00 0.32 C ATOM 1625 O LYS A 107 -5.523 -8.041 -8.712 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.780 -10.675 -8.997 1.00 0.34 C ATOM 1627 CG LYS A 107 -3.170 -12.005 -8.587 1.00 0.38 C ATOM 1628 CD LYS A 107 -2.032 -12.425 -9.503 1.00 0.66 C ATOM 1629 CE LYS A 107 -1.419 -13.742 -9.050 1.00 0.75 C ATOM 1630 NZ LYS A 107 -0.158 -14.045 -9.779 1.00 1.22 N ATOM 0 H LYS A 107 -6.478 -10.053 -9.752 1.00 0.38 H new ATOM 0 HA LYS A 107 -5.098 -10.910 -7.304 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.993 -10.694 -10.066 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -3.052 -9.881 -8.831 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.802 -11.933 -7.564 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.942 -12.774 -8.595 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.401 -12.525 -10.524 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.266 -11.649 -9.515 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -1.219 -13.700 -7.979 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -2.134 -14.549 -9.209 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 0.472 -14.601 -9.166 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -0.376 -14.591 -10.637 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 0.312 -13.156 -10.044 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.607 -8.533 -6.714 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.540 -7.153 -6.268 1.00 0.28 C ATOM 1646 C LEU A 108 -3.287 -6.515 -6.829 1.00 0.27 C ATOM 1647 O LEU A 108 -2.173 -6.913 -6.496 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.523 -7.093 -4.730 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.725 -5.709 -4.077 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.439 -4.890 -4.085 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -5.856 -4.943 -4.750 1.00 0.76 C ATOM 0 H LEU A 108 -4.258 -9.210 -6.036 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.416 -6.611 -6.623 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.301 -7.759 -4.357 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.569 -7.493 -4.387 1.00 0.29 H new ATOM 0 HG LEU A 108 -5.002 -5.881 -3.037 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -3.621 -3.922 -3.617 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.666 -5.422 -3.531 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -3.110 -4.740 -5.113 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -5.975 -3.972 -4.269 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -5.621 -4.799 -5.805 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.783 -5.509 -4.659 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.469 -5.555 -7.701 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.347 -4.861 -8.287 1.00 0.29 C ATOM 1665 C VAL A 109 -2.436 -3.383 -7.929 1.00 0.29 C ATOM 1666 O VAL A 109 -3.316 -2.661 -8.399 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.266 -5.071 -9.820 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.609 -4.812 -10.490 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -1.176 -4.199 -10.422 1.00 0.32 C ATOM 0 H VAL A 109 -4.383 -5.235 -8.022 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.426 -5.277 -7.878 1.00 0.29 H new ATOM 0 HB VAL A 109 -2.008 -6.114 -10.002 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.516 -4.968 -11.565 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.355 -5.497 -10.087 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.919 -3.785 -10.299 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -1.134 -4.360 -11.499 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.396 -3.151 -10.220 1.00 0.32 H new ATOM 0 HG23 VAL A 109 -0.215 -4.460 -9.979 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.548 -2.954 -7.051 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.531 -1.576 -6.597 1.00 0.30 C ATOM 1681 C GLU A 110 -0.515 -0.776 -7.393 1.00 0.28 C ATOM 1682 O GLU A 110 0.587 -1.252 -7.674 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.215 -1.529 -5.098 1.00 0.34 C ATOM 1684 CG GLU A 110 -1.713 -0.277 -4.404 1.00 0.71 C ATOM 1685 CD GLU A 110 -0.776 0.898 -4.588 1.00 1.02 C ATOM 1686 OE1 GLU A 110 0.414 0.767 -4.232 1.00 1.45 O ATOM 1687 OE2 GLU A 110 -1.218 1.943 -5.094 1.00 1.69 O ATOM 0 H GLU A 110 -0.826 -3.543 -6.637 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.513 -1.130 -6.757 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -1.658 -2.400 -4.616 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -0.136 -1.603 -4.962 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -2.698 -0.017 -4.793 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -1.833 -0.479 -3.340 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.909 0.424 -7.774 1.00 0.26 N ATOM 1695 CA ILE A 111 -0.057 1.315 -8.535 1.00 0.24 C ATOM 1696 C ILE A 111 0.046 2.642 -7.809 1.00 0.25 C ATOM 1697 O ILE A 111 -0.960 3.325 -7.605 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.597 1.542 -9.961 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.743 0.209 -10.694 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.316 2.468 -10.745 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -2.144 -0.365 -10.664 1.00 0.37 C ATOM 0 H ILE A 111 -1.830 0.808 -7.564 1.00 0.26 H new ATOM 0 HA ILE A 111 0.927 0.854 -8.624 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.577 2.011 -9.880 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.439 0.343 -11.732 1.00 0.29 H new ATOM 0 HG13 ILE A 111 -0.057 -0.513 -10.252 1.00 0.29 H new ATOM 0 HG21 ILE A 111 -0.086 2.613 -11.748 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.381 3.431 -10.238 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.310 2.027 -10.813 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -2.162 -1.310 -11.206 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.446 -0.534 -9.630 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.834 0.336 -11.134 1.00 0.37 H new ATOM 1713 N SER A 112 1.259 3.005 -7.448 1.00 0.23 N ATOM 1714 CA SER A 112 1.504 4.223 -6.704 1.00 0.24 C ATOM 1715 C SER A 112 2.575 5.061 -7.376 1.00 0.22 C ATOM 1716 O SER A 112 3.722 4.638 -7.513 1.00 0.25 O ATOM 1717 CB SER A 112 1.915 3.894 -5.267 1.00 0.28 C ATOM 1718 OG SER A 112 2.262 2.524 -5.126 1.00 0.37 O ATOM 0 H SER A 112 2.099 2.467 -7.661 1.00 0.23 H new ATOM 0 HA SER A 112 0.580 4.801 -6.684 1.00 0.24 H new ATOM 0 HB2 SER A 112 2.762 4.517 -4.978 1.00 0.28 H new ATOM 0 HB3 SER A 112 1.096 4.135 -4.589 1.00 0.28 H new ATOM 0 HG SER A 112 1.534 2.047 -4.675 1.00 0.37 H new ATOM 1724 N THR A 113 2.186 6.239 -7.812 1.00 0.22 N ATOM 1725 CA THR A 113 3.102 7.141 -8.459 1.00 0.22 C ATOM 1726 C THR A 113 3.786 8.034 -7.446 1.00 0.23 C ATOM 1727 O THR A 113 3.163 8.483 -6.484 1.00 0.26 O ATOM 1728 CB THR A 113 2.378 8.014 -9.479 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.137 7.392 -9.846 1.00 0.27 O ATOM 1730 CG2 THR A 113 3.254 8.197 -10.696 1.00 0.27 C ATOM 0 H THR A 113 1.233 6.593 -7.727 1.00 0.22 H new ATOM 0 HA THR A 113 3.850 6.534 -8.969 1.00 0.22 H new ATOM 0 HB THR A 113 2.168 8.992 -9.045 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.671 7.953 -10.500 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.738 8.821 -11.426 1.00 0.27 H new ATOM 0 HG22 THR A 113 4.187 8.678 -10.403 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.470 7.225 -11.138 1.00 0.27 H new ATOM 1738 N SER A 114 5.071 8.264 -7.657 1.00 0.25 N ATOM 1739 CA SER A 114 5.847 9.108 -6.776 1.00 0.30 C ATOM 1740 C SER A 114 6.636 10.128 -7.584 1.00 0.29 C ATOM 1741 O SER A 114 7.706 9.825 -8.114 1.00 0.30 O ATOM 1742 CB SER A 114 6.788 8.253 -5.929 1.00 0.38 C ATOM 1743 OG SER A 114 7.470 7.303 -6.731 1.00 1.43 O ATOM 0 H SER A 114 5.598 7.873 -8.438 1.00 0.25 H new ATOM 0 HA SER A 114 5.169 9.644 -6.112 1.00 0.30 H new ATOM 0 HB2 SER A 114 7.511 8.893 -5.423 1.00 0.38 H new ATOM 0 HB3 SER A 114 6.220 7.739 -5.154 1.00 0.38 H new ATOM 0 HG SER A 114 7.715 6.528 -6.183 1.00 1.43 H new ATOM 1749 N SER A 115 6.073 11.322 -7.710 1.00 0.37 N ATOM 1750 CA SER A 115 6.708 12.409 -8.446 1.00 0.47 C ATOM 1751 C SER A 115 7.082 11.985 -9.871 1.00 0.47 C ATOM 1752 O SER A 115 8.061 12.469 -10.436 1.00 0.57 O ATOM 1753 CB SER A 115 7.952 12.896 -7.690 1.00 0.54 C ATOM 1754 OG SER A 115 7.634 13.228 -6.347 1.00 0.63 O ATOM 0 H SER A 115 5.168 11.565 -7.307 1.00 0.37 H new ATOM 0 HA SER A 115 5.991 13.226 -8.524 1.00 0.47 H new ATOM 0 HB2 SER A 115 8.718 12.120 -7.705 1.00 0.54 H new ATOM 0 HB3 SER A 115 8.371 13.767 -8.194 1.00 0.54 H new ATOM 0 HG SER A 115 8.442 13.534 -5.886 1.00 0.63 H new ATOM 1760 N GLY A 116 6.301 11.074 -10.446 1.00 0.42 N ATOM 1761 CA GLY A 116 6.574 10.619 -11.795 1.00 0.46 C ATOM 1762 C GLY A 116 6.925 9.145 -11.867 1.00 0.40 C ATOM 1763 O GLY A 116 6.681 8.502 -12.887 1.00 0.46 O ATOM 0 H GLY A 116 5.488 10.646 -10.003 1.00 0.42 H new ATOM 0 HA2 GLY A 116 5.701 10.809 -12.420 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.396 11.203 -12.209 1.00 0.46 H new ATOM 1767 N VAL A 117 7.506 8.608 -10.798 1.00 0.33 N ATOM 1768 CA VAL A 117 7.881 7.196 -10.768 1.00 0.29 C ATOM 1769 C VAL A 117 6.666 6.327 -10.449 1.00 0.28 C ATOM 1770 O VAL A 117 6.003 6.528 -9.436 1.00 0.29 O ATOM 1771 CB VAL A 117 8.994 6.925 -9.733 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.319 5.438 -9.665 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.246 7.724 -10.069 1.00 0.53 C ATOM 0 H VAL A 117 7.727 9.124 -9.946 1.00 0.33 H new ATOM 0 HA VAL A 117 8.262 6.941 -11.757 1.00 0.29 H new ATOM 0 HB VAL A 117 8.631 7.243 -8.756 1.00 0.30 H new ATOM 0 HG11 VAL A 117 10.106 5.271 -8.929 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.427 4.883 -9.374 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.657 5.094 -10.643 1.00 0.52 H new ATOM 0 HG21 VAL A 117 11.018 7.519 -9.328 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.606 7.437 -11.057 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.011 8.788 -10.063 1.00 0.53 H new ATOM 1783 N VAL A 118 6.379 5.365 -11.315 1.00 0.27 N ATOM 1784 CA VAL A 118 5.230 4.488 -11.121 1.00 0.27 C ATOM 1785 C VAL A 118 5.637 3.160 -10.498 1.00 0.25 C ATOM 1786 O VAL A 118 6.297 2.336 -11.135 1.00 0.29 O ATOM 1787 CB VAL A 118 4.496 4.210 -12.450 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.269 3.339 -12.215 1.00 0.97 C ATOM 1789 CG2 VAL A 118 4.099 5.512 -13.121 1.00 0.86 C ATOM 0 H VAL A 118 6.923 5.171 -12.156 1.00 0.27 H new ATOM 0 HA VAL A 118 4.557 5.012 -10.442 1.00 0.27 H new ATOM 0 HB VAL A 118 5.177 3.673 -13.110 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.766 3.155 -13.164 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.576 2.389 -11.777 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.586 3.849 -11.535 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.583 5.297 -14.056 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.437 6.074 -12.462 1.00 0.86 H new ATOM 0 HG23 VAL A 118 4.992 6.102 -13.327 1.00 0.86 H new ATOM 1799 N TYR A 119 5.236 2.968 -9.255 1.00 0.22 N ATOM 1800 CA TYR A 119 5.527 1.743 -8.524 1.00 0.21 C ATOM 1801 C TYR A 119 4.323 0.809 -8.583 1.00 0.22 C ATOM 1802 O TYR A 119 3.192 1.231 -8.350 1.00 0.29 O ATOM 1803 CB TYR A 119 5.876 2.073 -7.069 1.00 0.22 C ATOM 1804 CG TYR A 119 6.020 0.865 -6.166 1.00 0.21 C ATOM 1805 CD1 TYR A 119 6.969 -0.115 -6.423 1.00 1.17 C ATOM 1806 CD2 TYR A 119 5.208 0.715 -5.049 1.00 1.21 C ATOM 1807 CE1 TYR A 119 7.101 -1.214 -5.597 1.00 1.20 C ATOM 1808 CE2 TYR A 119 5.335 -0.379 -4.217 1.00 1.22 C ATOM 1809 CZ TYR A 119 6.281 -1.340 -4.495 1.00 0.34 C ATOM 1810 OH TYR A 119 6.411 -2.429 -3.666 1.00 0.43 O ATOM 0 H TYR A 119 4.700 3.653 -8.722 1.00 0.22 H new ATOM 0 HA TYR A 119 6.381 1.245 -8.982 1.00 0.21 H new ATOM 0 HB2 TYR A 119 6.809 2.637 -7.052 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.102 2.724 -6.662 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.615 -0.016 -7.283 1.00 1.17 H new ATOM 0 HD2 TYR A 119 4.465 1.467 -4.828 1.00 1.21 H new ATOM 0 HE1 TYR A 119 7.842 -1.970 -5.813 1.00 1.20 H new ATOM 0 HE2 TYR A 119 4.696 -0.481 -3.352 1.00 1.22 H new ATOM 0 HH TYR A 119 5.759 -2.365 -2.937 1.00 0.43 H new ATOM 1820 N LYS A 120 4.561 -0.447 -8.928 1.00 0.21 N ATOM 1821 CA LYS A 120 3.489 -1.420 -9.022 1.00 0.23 C ATOM 1822 C LYS A 120 3.791 -2.660 -8.194 1.00 0.24 C ATOM 1823 O LYS A 120 4.943 -3.088 -8.092 1.00 0.29 O ATOM 1824 CB LYS A 120 3.287 -1.809 -10.475 1.00 0.28 C ATOM 1825 CG LYS A 120 2.832 -0.655 -11.352 1.00 0.31 C ATOM 1826 CD LYS A 120 3.102 -0.944 -12.809 1.00 0.46 C ATOM 1827 CE LYS A 120 2.228 -2.075 -13.315 1.00 0.87 C ATOM 1828 NZ LYS A 120 2.913 -2.877 -14.362 1.00 1.17 N ATOM 0 H LYS A 120 5.487 -0.814 -9.147 1.00 0.21 H new ATOM 0 HA LYS A 120 2.579 -0.967 -8.628 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.221 -2.209 -10.869 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.549 -2.610 -10.530 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.767 -0.479 -11.204 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.350 0.257 -11.056 1.00 0.31 H new ATOM 0 HD2 LYS A 120 2.919 -0.047 -13.400 1.00 0.46 H new ATOM 0 HD3 LYS A 120 4.152 -1.205 -12.942 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.954 -2.723 -12.482 1.00 0.87 H new ATOM 0 HE3 LYS A 120 1.302 -1.666 -13.719 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 2.303 -3.670 -14.646 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 3.107 -2.276 -15.188 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 3.809 -3.247 -13.985 1.00 1.17 H new ATOM 1842 N ARG A 121 2.757 -3.237 -7.608 1.00 0.25 N ATOM 1843 CA ARG A 121 2.911 -4.432 -6.794 1.00 0.28 C ATOM 1844 C ARG A 121 1.707 -5.357 -6.944 1.00 0.28 C ATOM 1845 O ARG A 121 0.568 -4.961 -6.684 1.00 0.34 O ATOM 1846 CB ARG A 121 3.097 -4.049 -5.324 1.00 0.36 C ATOM 1847 CG ARG A 121 2.226 -2.882 -4.891 1.00 0.59 C ATOM 1848 CD ARG A 121 2.437 -2.527 -3.433 1.00 0.84 C ATOM 1849 NE ARG A 121 1.911 -1.202 -3.122 1.00 1.20 N ATOM 1850 CZ ARG A 121 2.008 -0.620 -1.938 1.00 1.59 C ATOM 1851 NH1 ARG A 121 2.572 -1.258 -0.921 1.00 1.88 N ATOM 1852 NH2 ARG A 121 1.516 0.595 -1.774 1.00 2.48 N ATOM 0 H ARG A 121 1.798 -2.897 -7.680 1.00 0.25 H new ATOM 0 HA ARG A 121 3.796 -4.965 -7.140 1.00 0.28 H new ATOM 0 HB2 ARG A 121 2.871 -4.913 -4.699 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.143 -3.796 -5.151 1.00 0.36 H new ATOM 0 HG2 ARG A 121 2.448 -2.014 -5.511 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.178 -3.131 -5.055 1.00 0.59 H new ATOM 0 HD2 ARG A 121 1.949 -3.270 -2.803 1.00 0.84 H new ATOM 0 HD3 ARG A 121 3.501 -2.561 -3.200 1.00 0.84 H new ATOM 0 HE ARG A 121 1.437 -0.691 -3.867 1.00 1.20 H new ATOM 0 HH11 ARG A 121 2.934 -2.203 -1.049 1.00 1.88 H new ATOM 0 HH12 ARG A 121 2.644 -0.804 -0.011 1.00 1.88 H new ATOM 0 HH21 ARG A 121 1.068 1.073 -2.555 1.00 2.48 H new ATOM 0 HH22 ARG A 121 1.584 1.055 -0.866 1.00 2.48 H new ATOM 1866 N THR A 122 1.968 -6.582 -7.374 1.00 0.27 N ATOM 1867 CA THR A 122 0.925 -7.579 -7.542 1.00 0.27 C ATOM 1868 C THR A 122 0.893 -8.509 -6.334 1.00 0.25 C ATOM 1869 O THR A 122 1.927 -9.034 -5.916 1.00 0.29 O ATOM 1870 CB THR A 122 1.158 -8.419 -8.812 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.398 -7.564 -9.937 1.00 0.43 O ATOM 1872 CG2 THR A 122 -0.034 -9.315 -9.096 1.00 0.34 C ATOM 0 H THR A 122 2.903 -6.910 -7.615 1.00 0.27 H new ATOM 0 HA THR A 122 -0.025 -7.054 -7.635 1.00 0.27 H new ATOM 0 HB THR A 122 2.033 -9.047 -8.644 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.546 -8.110 -10.737 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.155 -9.898 -9.998 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.191 -9.990 -8.254 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.924 -8.702 -9.240 1.00 0.34 H new ATOM 1880 N SER A 123 -0.285 -8.692 -5.762 1.00 0.24 N ATOM 1881 CA SER A 123 -0.439 -9.563 -4.611 1.00 0.23 C ATOM 1882 C SER A 123 -1.496 -10.631 -4.880 1.00 0.23 C ATOM 1883 O SER A 123 -2.525 -10.358 -5.505 1.00 0.25 O ATOM 1884 CB SER A 123 -0.814 -8.735 -3.387 1.00 0.25 C ATOM 1885 OG SER A 123 -0.082 -7.522 -3.361 1.00 0.38 O ATOM 0 H SER A 123 -1.148 -8.249 -6.076 1.00 0.24 H new ATOM 0 HA SER A 123 0.508 -10.068 -4.422 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.883 -8.521 -3.400 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.614 -9.306 -2.480 1.00 0.25 H new ATOM 0 HG SER A 123 -0.337 -7.003 -2.570 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.223 -11.852 -4.439 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.162 -12.948 -4.619 1.00 0.25 C ATOM 1893 C LYS A 124 -3.218 -12.916 -3.522 1.00 0.22 C ATOM 1894 O LYS A 124 -2.953 -12.453 -2.414 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.430 -14.293 -4.627 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.752 -14.638 -3.307 1.00 0.31 C ATOM 1897 CD LYS A 124 -0.161 -16.040 -3.333 1.00 0.43 C ATOM 1898 CE LYS A 124 0.192 -16.517 -1.931 1.00 0.61 C ATOM 1899 NZ LYS A 124 1.575 -16.145 -1.543 1.00 1.45 N ATOM 0 H LYS A 124 -0.362 -12.107 -3.956 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.657 -12.829 -5.583 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.142 -15.081 -4.875 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.679 -14.282 -5.417 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.036 -13.914 -3.101 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.475 -14.562 -2.495 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.874 -16.729 -3.785 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.732 -16.049 -3.958 1.00 0.43 H new ATOM 0 HE2 LYS A 124 -0.511 -16.090 -1.216 1.00 0.61 H new ATOM 0 HE3 LYS A 124 0.081 -17.600 -1.879 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 1.579 -15.798 -0.563 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 2.193 -16.978 -1.618 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 1.924 -15.398 -2.176 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.415 -13.393 -3.839 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.512 -13.410 -2.878 1.00 0.23 C ATOM 1915 C LYS A 125 -5.612 -14.774 -2.205 1.00 0.25 C ATOM 1916 O LYS A 125 -5.754 -15.801 -2.867 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.841 -13.072 -3.567 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.866 -12.392 -2.656 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.277 -13.268 -1.480 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.699 -13.785 -1.621 1.00 0.39 C ATOM 1921 NZ LYS A 125 -9.855 -14.703 -2.782 1.00 1.45 N ATOM 0 H LYS A 125 -4.652 -13.774 -4.755 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.308 -12.655 -2.119 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.641 -12.422 -4.418 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.276 -13.990 -3.963 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.449 -11.458 -2.280 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.750 -12.135 -3.239 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.591 -14.112 -1.400 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -8.189 -12.697 -0.555 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -9.986 -14.306 -0.708 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -10.380 -12.942 -1.734 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -10.841 -15.029 -2.837 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -9.608 -14.200 -3.658 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -9.225 -15.522 -2.664 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.545 -14.770 -0.886 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.641 -15.983 -0.101 1.00 0.28 C ATOM 1937 C ILE A 126 -6.492 -15.724 1.131 1.00 0.30 C ATOM 1938 O ILE A 126 -6.857 -14.579 1.404 1.00 0.28 O ATOM 1939 CB ILE A 126 -4.269 -16.527 0.341 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -3.112 -15.836 -0.394 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -4.215 -18.027 0.119 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.519 -14.670 0.365 1.00 0.27 C ATOM 0 H ILE A 126 -5.422 -13.924 -0.330 1.00 0.24 H new ATOM 0 HA ILE A 126 -6.098 -16.738 -0.741 1.00 0.28 H new ATOM 0 HB ILE A 126 -4.151 -16.311 1.403 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -2.328 -16.568 -0.588 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.467 -15.485 -1.363 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -3.243 -18.407 0.433 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.999 -18.510 0.703 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -4.365 -18.244 -0.939 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.707 -14.232 -0.216 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.289 -13.918 0.536 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -2.132 -15.018 1.323 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.870 -16.776 1.844 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.661 -16.615 3.047 1.00 0.44 C ATOM 1956 C ALA A 127 -7.165 -17.560 4.129 1.00 0.67 C ATOM 1957 O ALA A 127 -6.720 -17.085 5.192 1.00 1.27 O ATOM 1958 CB ALA A 127 -9.135 -16.848 2.759 1.00 0.46 C ATOM 0 H ALA A 127 -6.642 -17.742 1.609 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.548 -15.591 3.403 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.709 -16.722 3.677 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.478 -16.130 2.014 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -9.276 -17.860 2.379 1.00 0.46 H new