USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=39 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 97 TYR OH : rot 180:sc=-0.00267 USER MOD Set 1.2: A 99 HIS : no HD1:sc= 0.543 K(o=0.74,f=-8.1!) USER MOD Set 1.3: A 112 SER OG : rot -79:sc= 0.203 USER MOD Set 2.1: A 96 ASN : amide:sc= 0.37 X(o=0.72,f=0.91) USER MOD Set 2.2: A 115 SER OG : rot 180:sc= 0.349 USER MOD Set 3.1: A 52 HIS : no HD1:sc= 0.644 K(o=1.1,f=-1.7!) USER MOD Set 3.2: A 58 THR OG1 : rot 17:sc= 0.432 USER MOD Set 4.1: A 3 THR OG1 : rot 173:sc= 0.0484 USER MOD Set 4.2: A 42 GLN : amide:sc= 0 K(o=0.048,f=-1.2) USER MOD Set 5.1: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 51 GLN :FLIP amide:sc= -0.64 F(o=-1.3!,f=-0.64) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 165:sc= 0.416 USER MOD Single : A 10 SER OG : rot 3:sc= 0.357 USER MOD Single : A 13 ASN : amide:sc= 0.0662 K(o=0.066,f=-2.1!) USER MOD Single : A 14 TYR OH : rot -121: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 -137:sc= -0.331 (180deg=-1.17) USER MOD Single : A 33 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.072) USER MOD Single : A 34 CYS SG : rot 166:sc= 1.24 USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00186) USER MOD Single : A 43 ASN : amide:sc= -0.098 K(o=-0.098,f=-2.3!) USER MOD Single : A 45 ASN : amide:sc= -1.04 X(o=-1,f=-1.5) USER MOD Single : A 48 THR OG1 : rot 157:sc= -1.61! USER MOD Single : A 50 THR OG1 : rot 87:sc= 0.11 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.261 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 61 ASN : amide:sc= 0.829 K(o=0.83,f=-6.2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 21:sc= 1.23 USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.1) USER MOD Single : A 71 MET CE :methyl -156:sc= -1.96 (180deg=-2.91) USER MOD Single : A 73 THR OG1 : rot 144:sc= -0.833 USER MOD Single : A 74 MET CE :methyl -125:sc= 0 (180deg=-1.38) USER MOD Single : A 78 LYS NZ :NH3+ 152:sc= 1.31 (180deg=0.454) USER MOD Single : A 80 LYS NZ :NH3+ 159:sc= 1.18 (180deg=0.731) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 178:sc= -0.96 (180deg=-0.998) USER MOD Single : A 89 LYS NZ :NH3+ -124:sc= 1.31 (180deg=-0.459) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 158:sc= 1.16 (180deg=0.828) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 114 SER OG : rot 94:sc= 0.327 USER MOD Single : A 119 TYR OH : rot 71:sc= 0.231 USER MOD Single : A 120 LYS NZ :NH3+ 158:sc= 1.28 (180deg=1.24) 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+ 143:sc= 1.23 (180deg=-1.52) USER MOD Single : A 125 LYS NZ :NH3+ 173:sc= -0.318 (180deg=-0.401) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 2 -12.250 -6.519 -3.101 1.00 0.35 N ATOM 12 CA PHE A 2 -10.981 -6.157 -2.484 1.00 0.27 C ATOM 13 C PHE A 2 -10.760 -6.927 -1.190 1.00 0.23 C ATOM 14 O PHE A 2 -9.630 -7.041 -0.720 1.00 0.25 O ATOM 15 CB PHE A 2 -10.925 -4.650 -2.212 1.00 0.33 C ATOM 16 CG PHE A 2 -10.716 -3.820 -3.445 1.00 0.31 C ATOM 17 CD1 PHE A 2 -9.502 -3.848 -4.113 1.00 1.24 C ATOM 18 CD2 PHE A 2 -11.729 -3.014 -3.936 1.00 1.22 C ATOM 19 CE1 PHE A 2 -9.304 -3.090 -5.248 1.00 1.24 C ATOM 20 CE2 PHE A 2 -11.537 -2.254 -5.071 1.00 1.23 C ATOM 21 CZ PHE A 2 -10.323 -2.292 -5.727 1.00 0.36 C ATOM 0 HA PHE A 2 -10.186 -6.421 -3.181 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -11.853 -4.342 -1.731 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.118 -4.447 -1.507 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -8.702 -4.471 -3.740 1.00 1.24 H new ATOM 0 HD2 PHE A 2 -12.680 -2.980 -3.425 1.00 1.22 H new ATOM 0 HE1 PHE A 2 -8.354 -3.121 -5.761 1.00 1.24 H new ATOM 0 HE2 PHE A 2 -12.335 -1.630 -5.446 1.00 1.23 H new ATOM 0 HZ PHE A 2 -10.171 -1.697 -6.615 1.00 0.36 H new ATOM 31 N THR A 3 -11.838 -7.449 -0.621 1.00 0.20 N ATOM 32 CA THR A 3 -11.758 -8.204 0.621 1.00 0.19 C ATOM 33 C THR A 3 -10.885 -9.443 0.482 1.00 0.19 C ATOM 34 O THR A 3 -10.934 -10.146 -0.530 1.00 0.26 O ATOM 35 CB THR A 3 -13.149 -8.624 1.101 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.113 -7.654 0.676 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.151 -8.736 2.614 1.00 0.26 C ATOM 0 H THR A 3 -12.781 -7.363 -1.001 1.00 0.20 H new ATOM 0 HA THR A 3 -11.303 -7.540 1.356 1.00 0.19 H new ATOM 0 HB THR A 3 -13.408 -9.593 0.674 1.00 0.21 H new ATOM 0 HG1 THR A 3 -15.015 -7.974 0.889 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.142 -9.035 2.955 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.420 -9.482 2.925 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.893 -7.771 3.051 1.00 0.26 H new ATOM 45 N GLY A 4 -10.100 -9.714 1.514 1.00 0.19 N ATOM 46 CA GLY A 4 -9.228 -10.858 1.495 1.00 0.21 C ATOM 47 C GLY A 4 -7.821 -10.494 1.872 1.00 0.19 C ATOM 48 O GLY A 4 -7.471 -9.316 1.941 1.00 0.21 O ATOM 0 H GLY A 4 -10.055 -9.155 2.366 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.605 -11.614 2.184 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.234 -11.303 0.500 1.00 0.21 H new ATOM 52 N LYS A 5 -7.017 -11.497 2.148 1.00 0.20 N ATOM 53 CA LYS A 5 -5.633 -11.266 2.493 1.00 0.20 C ATOM 54 C LYS A 5 -4.779 -11.416 1.232 1.00 0.18 C ATOM 55 O LYS A 5 -5.061 -12.257 0.377 1.00 0.19 O ATOM 56 CB LYS A 5 -5.190 -12.229 3.599 1.00 0.23 C ATOM 57 CG LYS A 5 -4.159 -13.254 3.157 1.00 0.28 C ATOM 58 CD LYS A 5 -4.101 -14.456 4.092 1.00 0.31 C ATOM 59 CE LYS A 5 -4.038 -14.044 5.555 1.00 0.56 C ATOM 60 NZ LYS A 5 -4.163 -15.221 6.459 1.00 1.54 N ATOM 0 H LYS A 5 -7.297 -12.478 2.140 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.507 -10.255 2.882 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.779 -11.650 4.426 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -6.066 -12.753 3.981 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.396 -13.592 2.148 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.177 -12.783 3.113 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -4.978 -15.082 3.930 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.228 -15.061 3.849 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -3.095 -13.533 5.750 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -4.836 -13.333 5.769 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -4.116 -14.905 7.449 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -5.074 -15.694 6.289 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -3.387 -15.887 6.271 1.00 1.54 H new ATOM 74 N TYR A 6 -3.758 -10.591 1.102 1.00 0.19 N ATOM 75 CA TYR A 6 -2.897 -10.640 -0.068 1.00 0.19 C ATOM 76 C TYR A 6 -1.443 -10.820 0.337 1.00 0.19 C ATOM 77 O TYR A 6 -1.009 -10.287 1.356 1.00 0.23 O ATOM 78 CB TYR A 6 -3.060 -9.364 -0.894 1.00 0.22 C ATOM 79 CG TYR A 6 -4.468 -9.148 -1.395 1.00 0.23 C ATOM 80 CD1 TYR A 6 -4.912 -9.761 -2.558 1.00 1.14 C ATOM 81 CD2 TYR A 6 -5.357 -8.339 -0.698 1.00 1.25 C ATOM 82 CE1 TYR A 6 -6.203 -9.574 -3.012 1.00 1.13 C ATOM 83 CE2 TYR A 6 -6.647 -8.147 -1.146 1.00 1.29 C ATOM 84 CZ TYR A 6 -7.066 -8.768 -2.303 1.00 0.35 C ATOM 85 OH TYR A 6 -8.353 -8.588 -2.748 1.00 0.44 O ATOM 0 H TYR A 6 -3.504 -9.881 1.788 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.191 -11.497 -0.675 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.763 -8.508 -0.288 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.381 -9.403 -1.746 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -4.238 -10.394 -3.116 1.00 1.14 H new ATOM 0 HD2 TYR A 6 -5.032 -7.852 0.210 1.00 1.25 H new ATOM 0 HE1 TYR A 6 -6.534 -10.058 -3.919 1.00 1.13 H new ATOM 0 HE2 TYR A 6 -7.325 -7.514 -0.593 1.00 1.29 H new ATOM 0 HH TYR A 6 -8.896 -8.200 -2.030 1.00 0.44 H new ATOM 95 N GLU A 7 -0.705 -11.573 -0.464 1.00 0.19 N ATOM 96 CA GLU A 7 0.704 -11.830 -0.202 1.00 0.21 C ATOM 97 C GLU A 7 1.554 -11.290 -1.335 1.00 0.19 C ATOM 98 O GLU A 7 1.075 -11.136 -2.460 1.00 0.22 O ATOM 99 CB GLU A 7 0.969 -13.328 -0.062 1.00 0.26 C ATOM 100 CG GLU A 7 0.888 -13.849 1.363 1.00 0.33 C ATOM 101 CD GLU A 7 1.296 -15.305 1.455 1.00 0.59 C ATOM 102 OE1 GLU A 7 0.501 -16.177 1.050 1.00 1.20 O ATOM 103 OE2 GLU A 7 2.429 -15.583 1.909 1.00 1.41 O ATOM 0 H GLU A 7 -1.062 -12.021 -1.308 1.00 0.19 H new ATOM 0 HA GLU A 7 0.965 -11.330 0.731 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.250 -13.871 -0.676 1.00 0.26 H new ATOM 0 HB3 GLU A 7 1.959 -13.548 -0.461 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.533 -13.250 2.006 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.130 -13.733 1.735 1.00 0.33 H new ATOM 110 N PHE A 8 2.818 -11.018 -1.034 1.00 0.23 N ATOM 111 CA PHE A 8 3.758 -10.511 -2.024 1.00 0.25 C ATOM 112 C PHE A 8 3.977 -11.538 -3.135 1.00 0.24 C ATOM 113 O PHE A 8 4.582 -12.593 -2.919 1.00 0.33 O ATOM 114 CB PHE A 8 5.099 -10.157 -1.356 1.00 0.33 C ATOM 115 CG PHE A 8 6.242 -9.989 -2.322 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.199 -9.025 -3.318 1.00 1.32 C ATOM 117 CD2 PHE A 8 7.360 -10.805 -2.231 1.00 1.55 C ATOM 118 CE1 PHE A 8 7.250 -8.882 -4.205 1.00 1.57 C ATOM 119 CE2 PHE A 8 8.414 -10.664 -3.116 1.00 1.86 C ATOM 120 CZ PHE A 8 8.357 -9.701 -4.105 1.00 1.49 C ATOM 0 H PHE A 8 3.217 -11.142 -0.104 1.00 0.23 H new ATOM 0 HA PHE A 8 3.336 -9.608 -2.466 1.00 0.25 H new ATOM 0 HB2 PHE A 8 4.978 -9.234 -0.789 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.354 -10.939 -0.641 1.00 0.33 H new ATOM 0 HD1 PHE A 8 5.337 -8.380 -3.402 1.00 1.32 H new ATOM 0 HD2 PHE A 8 7.408 -11.560 -1.460 1.00 1.55 H new ATOM 0 HE1 PHE A 8 7.205 -8.128 -4.977 1.00 1.57 H new ATOM 0 HE2 PHE A 8 9.279 -11.305 -3.034 1.00 1.86 H new ATOM 0 HZ PHE A 8 9.177 -9.589 -4.799 1.00 1.49 H new ATOM 130 N GLU A 9 3.453 -11.240 -4.315 1.00 0.25 N ATOM 131 CA GLU A 9 3.608 -12.122 -5.459 1.00 0.26 C ATOM 132 C GLU A 9 4.686 -11.572 -6.390 1.00 0.28 C ATOM 133 O GLU A 9 5.602 -12.294 -6.796 1.00 0.34 O ATOM 134 CB GLU A 9 2.269 -12.302 -6.190 1.00 0.27 C ATOM 135 CG GLU A 9 2.413 -12.754 -7.633 1.00 0.35 C ATOM 136 CD GLU A 9 1.114 -13.227 -8.250 1.00 0.61 C ATOM 137 OE1 GLU A 9 0.412 -14.046 -7.626 1.00 1.19 O ATOM 138 OE2 GLU A 9 0.802 -12.792 -9.379 1.00 1.46 O ATOM 0 H GLU A 9 2.917 -10.393 -4.504 1.00 0.25 H new ATOM 0 HA GLU A 9 3.923 -13.107 -5.114 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.666 -13.031 -5.649 1.00 0.27 H new ATOM 0 HB3 GLU A 9 1.724 -11.358 -6.168 1.00 0.27 H new ATOM 0 HG2 GLU A 9 2.809 -11.929 -8.226 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.144 -13.561 -7.681 1.00 0.35 H new ATOM 145 N SER A 10 4.589 -10.288 -6.715 1.00 0.26 N ATOM 146 CA SER A 10 5.560 -9.640 -7.589 1.00 0.29 C ATOM 147 C SER A 10 5.556 -8.129 -7.362 1.00 0.27 C ATOM 148 O SER A 10 4.576 -7.577 -6.863 1.00 0.32 O ATOM 149 CB SER A 10 5.247 -9.953 -9.058 1.00 0.34 C ATOM 150 OG SER A 10 5.395 -11.339 -9.324 1.00 1.01 O ATOM 0 H SER A 10 3.845 -9.673 -6.385 1.00 0.26 H new ATOM 0 HA SER A 10 6.551 -10.027 -7.351 1.00 0.29 H new ATOM 0 HB2 SER A 10 4.229 -9.641 -9.291 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.912 -9.381 -9.705 1.00 0.34 H new ATOM 0 HG SER A 10 5.628 -11.808 -8.496 1.00 1.01 H new ATOM 156 N ASP A 11 6.649 -7.470 -7.725 1.00 0.28 N ATOM 157 CA ASP A 11 6.782 -6.028 -7.573 1.00 0.28 C ATOM 158 C ASP A 11 7.495 -5.468 -8.793 1.00 0.28 C ATOM 159 O ASP A 11 8.261 -6.176 -9.448 1.00 0.34 O ATOM 160 CB ASP A 11 7.557 -5.664 -6.293 1.00 0.32 C ATOM 161 CG ASP A 11 9.058 -5.846 -6.425 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.540 -6.994 -6.318 1.00 1.71 O ATOM 163 OD2 ASP A 11 9.770 -4.843 -6.630 1.00 1.72 O ATOM 0 H ASP A 11 7.468 -7.921 -8.133 1.00 0.28 H new ATOM 0 HA ASP A 11 5.787 -5.592 -7.487 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.346 -4.627 -6.032 1.00 0.32 H new ATOM 0 HB3 ASP A 11 7.195 -6.280 -5.470 1.00 0.32 H new ATOM 168 N GLU A 12 7.222 -4.221 -9.120 1.00 0.26 N ATOM 169 CA GLU A 12 7.846 -3.587 -10.261 1.00 0.27 C ATOM 170 C GLU A 12 8.212 -2.148 -9.947 1.00 0.25 C ATOM 171 O GLU A 12 7.447 -1.420 -9.307 1.00 0.26 O ATOM 172 CB GLU A 12 6.905 -3.658 -11.460 1.00 0.32 C ATOM 173 CG GLU A 12 7.155 -2.607 -12.530 1.00 0.38 C ATOM 174 CD GLU A 12 6.515 -2.972 -13.849 1.00 0.57 C ATOM 175 OE1 GLU A 12 7.143 -3.717 -14.628 1.00 1.00 O ATOM 176 OE2 GLU A 12 5.377 -2.526 -14.113 1.00 1.44 O ATOM 0 H GLU A 12 6.570 -3.626 -8.609 1.00 0.26 H new ATOM 0 HA GLU A 12 8.768 -4.117 -10.501 1.00 0.27 H new ATOM 0 HB2 GLU A 12 6.991 -4.645 -11.913 1.00 0.32 H new ATOM 0 HB3 GLU A 12 5.879 -3.558 -11.105 1.00 0.32 H new ATOM 0 HG2 GLU A 12 6.765 -1.647 -12.192 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.229 -2.483 -12.671 1.00 0.38 H new ATOM 183 N ASN A 13 9.388 -1.763 -10.418 1.00 0.25 N ATOM 184 CA ASN A 13 9.926 -0.414 -10.234 1.00 0.25 C ATOM 185 C ASN A 13 10.056 -0.058 -8.752 1.00 0.23 C ATOM 186 O ASN A 13 9.633 1.013 -8.319 1.00 0.30 O ATOM 187 CB ASN A 13 9.026 0.595 -10.943 1.00 0.29 C ATOM 188 CG ASN A 13 9.797 1.734 -11.568 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.962 1.583 -11.939 1.00 0.51 O ATOM 190 ND2 ASN A 13 9.148 2.876 -11.696 1.00 0.84 N ATOM 0 H ASN A 13 10.006 -2.381 -10.945 1.00 0.25 H new ATOM 0 HA ASN A 13 10.925 -0.382 -10.668 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.454 0.083 -11.716 1.00 0.29 H new ATOM 0 HB3 ASN A 13 8.308 0.998 -10.229 1.00 0.29 H new ATOM 0 HD21 ASN A 13 9.611 3.681 -12.117 1.00 0.84 H new ATOM 0 HD22 ASN A 13 8.183 2.953 -11.374 1.00 0.84 H new ATOM 197 N TYR A 14 10.671 -0.956 -7.985 1.00 0.23 N ATOM 198 CA TYR A 14 10.842 -0.746 -6.549 1.00 0.25 C ATOM 199 C TYR A 14 11.941 0.273 -6.241 1.00 0.23 C ATOM 200 O TYR A 14 11.684 1.289 -5.594 1.00 0.22 O ATOM 201 CB TYR A 14 11.154 -2.070 -5.838 1.00 0.32 C ATOM 202 CG TYR A 14 10.915 -2.008 -4.346 1.00 0.44 C ATOM 203 CD1 TYR A 14 11.891 -1.525 -3.484 1.00 1.30 C ATOM 204 CD2 TYR A 14 9.706 -2.416 -3.801 1.00 1.28 C ATOM 205 CE1 TYR A 14 11.671 -1.449 -2.122 1.00 1.36 C ATOM 206 CE2 TYR A 14 9.473 -2.340 -2.438 1.00 1.39 C ATOM 207 CZ TYR A 14 10.462 -1.856 -1.604 1.00 0.78 C ATOM 208 OH TYR A 14 10.233 -1.763 -0.248 1.00 0.98 O ATOM 0 H TYR A 14 11.058 -1.833 -8.333 1.00 0.23 H new ATOM 0 HA TYR A 14 9.899 -0.347 -6.176 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.538 -2.861 -6.267 1.00 0.32 H new ATOM 0 HB3 TYR A 14 12.194 -2.340 -6.023 1.00 0.32 H new ATOM 0 HD1 TYR A 14 12.840 -1.203 -3.886 1.00 1.30 H new ATOM 0 HD2 TYR A 14 8.933 -2.799 -4.451 1.00 1.28 H new ATOM 0 HE1 TYR A 14 12.443 -1.072 -1.467 1.00 1.36 H new ATOM 0 HE2 TYR A 14 8.525 -2.657 -2.030 1.00 1.39 H new ATOM 0 HH TYR A 14 10.038 -2.653 0.113 1.00 0.98 H new ATOM 218 N ASP A 15 13.159 0.003 -6.710 1.00 0.25 N ATOM 219 CA ASP A 15 14.307 0.882 -6.447 1.00 0.26 C ATOM 220 C ASP A 15 14.060 2.307 -6.918 1.00 0.25 C ATOM 221 O ASP A 15 14.405 3.261 -6.231 1.00 0.26 O ATOM 222 CB ASP A 15 15.572 0.356 -7.117 1.00 0.33 C ATOM 223 CG ASP A 15 16.036 -0.970 -6.547 1.00 0.50 C ATOM 224 OD1 ASP A 15 15.579 -2.025 -7.039 1.00 1.30 O ATOM 225 OD2 ASP A 15 16.862 -0.965 -5.605 1.00 1.18 O ATOM 0 H ASP A 15 13.380 -0.817 -7.275 1.00 0.25 H new ATOM 0 HA ASP A 15 14.440 0.889 -5.365 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.390 0.242 -8.186 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.368 1.092 -7.006 1.00 0.33 H new ATOM 230 N ASP A 16 13.465 2.451 -8.087 1.00 0.25 N ATOM 231 CA ASP A 16 13.184 3.773 -8.642 1.00 0.26 C ATOM 232 C ASP A 16 12.251 4.552 -7.730 1.00 0.25 C ATOM 233 O ASP A 16 12.406 5.753 -7.532 1.00 0.29 O ATOM 234 CB ASP A 16 12.555 3.631 -10.018 1.00 0.29 C ATOM 235 CG ASP A 16 13.228 4.498 -11.067 1.00 0.72 C ATOM 236 OD1 ASP A 16 14.424 4.817 -10.911 1.00 1.20 O ATOM 237 OD2 ASP A 16 12.564 4.846 -12.069 1.00 1.46 O ATOM 0 H ASP A 16 13.165 1.673 -8.675 1.00 0.25 H new ATOM 0 HA ASP A 16 14.124 4.319 -8.726 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.606 2.588 -10.329 1.00 0.29 H new ATOM 0 HB3 ASP A 16 11.499 3.895 -9.958 1.00 0.29 H new ATOM 242 N PHE A 17 11.288 3.844 -7.169 1.00 0.21 N ATOM 243 CA PHE A 17 10.314 4.433 -6.269 1.00 0.21 C ATOM 244 C PHE A 17 10.976 4.878 -4.969 1.00 0.20 C ATOM 245 O PHE A 17 10.851 6.032 -4.555 1.00 0.23 O ATOM 246 CB PHE A 17 9.226 3.406 -5.974 1.00 0.21 C ATOM 247 CG PHE A 17 8.116 3.912 -5.102 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.188 4.822 -5.586 1.00 1.17 C ATOM 249 CD2 PHE A 17 7.991 3.462 -3.799 1.00 1.22 C ATOM 250 CE1 PHE A 17 6.158 5.271 -4.782 1.00 1.19 C ATOM 251 CE2 PHE A 17 6.963 3.905 -2.992 1.00 1.24 C ATOM 252 CZ PHE A 17 6.046 4.811 -3.484 1.00 0.38 C ATOM 0 H PHE A 17 11.159 2.844 -7.325 1.00 0.21 H new ATOM 0 HA PHE A 17 9.877 5.312 -6.744 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.802 3.062 -6.918 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.682 2.539 -5.495 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.271 5.183 -6.601 1.00 1.17 H new ATOM 0 HD2 PHE A 17 8.708 2.755 -3.409 1.00 1.22 H new ATOM 0 HE1 PHE A 17 5.441 5.981 -5.168 1.00 1.19 H new ATOM 0 HE2 PHE A 17 6.876 3.544 -1.978 1.00 1.24 H new ATOM 0 HZ PHE A 17 5.241 5.160 -2.855 1.00 0.38 H new ATOM 262 N VAL A 18 11.696 3.958 -4.344 1.00 0.19 N ATOM 263 CA VAL A 18 12.362 4.234 -3.079 1.00 0.21 C ATOM 264 C VAL A 18 13.446 5.302 -3.229 1.00 0.23 C ATOM 265 O VAL A 18 13.609 6.149 -2.351 1.00 0.26 O ATOM 266 CB VAL A 18 12.962 2.951 -2.469 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.850 1.993 -2.077 1.00 0.25 C ATOM 268 CG2 VAL A 18 13.926 2.281 -3.434 1.00 0.23 C ATOM 0 H VAL A 18 11.834 3.010 -4.694 1.00 0.19 H new ATOM 0 HA VAL A 18 11.601 4.618 -2.400 1.00 0.21 H new ATOM 0 HB VAL A 18 13.524 3.228 -1.577 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.283 1.090 -1.647 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.201 2.470 -1.342 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.267 1.731 -2.960 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.332 1.380 -2.975 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.398 2.016 -4.350 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.740 2.967 -3.670 1.00 0.23 H new ATOM 278 N LYS A 19 14.171 5.275 -4.344 1.00 0.24 N ATOM 279 CA LYS A 19 15.221 6.258 -4.582 1.00 0.29 C ATOM 280 C LYS A 19 14.630 7.639 -4.838 1.00 0.30 C ATOM 281 O LYS A 19 15.254 8.656 -4.531 1.00 0.34 O ATOM 282 CB LYS A 19 16.104 5.835 -5.756 1.00 0.33 C ATOM 283 CG LYS A 19 17.058 4.708 -5.408 1.00 0.41 C ATOM 284 CD LYS A 19 18.169 5.166 -4.476 1.00 0.54 C ATOM 285 CE LYS A 19 18.598 4.040 -3.553 1.00 0.87 C ATOM 286 NZ LYS A 19 19.723 4.440 -2.670 1.00 1.18 N ATOM 0 H LYS A 19 14.052 4.590 -5.090 1.00 0.24 H new ATOM 0 HA LYS A 19 15.837 6.310 -3.684 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.470 5.523 -6.586 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.678 6.696 -6.100 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.503 3.896 -4.938 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.495 4.308 -6.323 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.023 5.508 -5.061 1.00 0.54 H new ATOM 0 HD3 LYS A 19 17.827 6.016 -3.885 1.00 0.54 H new ATOM 0 HE2 LYS A 19 17.750 3.730 -2.942 1.00 0.87 H new ATOM 0 HE3 LYS A 19 18.894 3.177 -4.149 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 19.984 3.642 -2.057 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.541 4.711 -3.252 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 19.433 5.248 -2.082 1.00 1.18 H new ATOM 300 N LYS A 20 13.418 7.672 -5.387 1.00 0.29 N ATOM 301 CA LYS A 20 12.744 8.928 -5.686 1.00 0.32 C ATOM 302 C LYS A 20 12.197 9.581 -4.418 1.00 0.31 C ATOM 303 O LYS A 20 12.383 10.780 -4.203 1.00 0.36 O ATOM 304 CB LYS A 20 11.611 8.693 -6.690 1.00 0.35 C ATOM 305 CG LYS A 20 10.785 9.936 -6.995 1.00 0.58 C ATOM 306 CD LYS A 20 11.635 11.049 -7.593 1.00 0.73 C ATOM 307 CE LYS A 20 12.028 10.754 -9.031 1.00 0.71 C ATOM 308 NZ LYS A 20 12.980 11.764 -9.569 1.00 0.88 N ATOM 0 H LYS A 20 12.883 6.839 -5.634 1.00 0.29 H new ATOM 0 HA LYS A 20 13.476 9.606 -6.124 1.00 0.32 H new ATOM 0 HB2 LYS A 20 12.036 8.315 -7.620 1.00 0.35 H new ATOM 0 HB3 LYS A 20 10.951 7.917 -6.302 1.00 0.35 H new ATOM 0 HG2 LYS A 20 9.984 9.679 -7.688 1.00 0.58 H new ATOM 0 HG3 LYS A 20 10.313 10.292 -6.079 1.00 0.58 H new ATOM 0 HD2 LYS A 20 11.083 11.988 -7.553 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.534 11.182 -6.991 1.00 0.73 H new ATOM 0 HE2 LYS A 20 12.480 9.764 -9.087 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.134 10.731 -9.654 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 13.221 11.525 -10.552 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 12.540 12.706 -9.540 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 13.845 11.768 -8.991 1.00 0.88 H new ATOM 322 N ILE A 21 11.537 8.793 -3.573 1.00 0.28 N ATOM 323 CA ILE A 21 10.958 9.319 -2.336 1.00 0.30 C ATOM 324 C ILE A 21 12.036 9.634 -1.295 1.00 0.32 C ATOM 325 O ILE A 21 11.775 10.322 -0.306 1.00 0.39 O ATOM 326 CB ILE A 21 9.920 8.347 -1.731 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.568 6.994 -1.419 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.733 8.176 -2.676 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.671 6.054 -0.649 1.00 0.30 C ATOM 0 H ILE A 21 11.389 7.794 -3.719 1.00 0.28 H new ATOM 0 HA ILE A 21 10.451 10.246 -2.604 1.00 0.30 H new ATOM 0 HB ILE A 21 9.553 8.771 -0.796 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.861 6.517 -2.354 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.480 7.162 -0.847 1.00 0.24 H new ATOM 0 HG21 ILE A 21 8.012 7.488 -2.234 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.258 9.143 -2.842 1.00 0.31 H new ATOM 0 HG23 ILE A 21 9.081 7.775 -3.628 1.00 0.31 H new ATOM 0 HD11 ILE A 21 10.198 5.118 -0.465 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.398 6.510 0.303 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.769 5.855 -1.228 1.00 0.30 H new ATOM 341 N GLY A 22 13.241 9.132 -1.526 1.00 0.31 N ATOM 342 CA GLY A 22 14.341 9.376 -0.614 1.00 0.36 C ATOM 343 C GLY A 22 14.314 8.447 0.580 1.00 0.34 C ATOM 344 O GLY A 22 14.692 8.834 1.687 1.00 0.39 O ATOM 0 H GLY A 22 13.478 8.556 -2.334 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.285 9.254 -1.146 1.00 0.36 H new ATOM 0 HA3 GLY A 22 14.301 10.409 -0.269 1.00 0.36 H new ATOM 348 N LEU A 23 13.860 7.222 0.360 1.00 0.28 N ATOM 349 CA LEU A 23 13.794 6.228 1.421 1.00 0.27 C ATOM 350 C LEU A 23 15.204 5.802 1.813 1.00 0.28 C ATOM 351 O LEU A 23 16.053 5.608 0.947 1.00 0.28 O ATOM 352 CB LEU A 23 12.989 5.010 0.940 1.00 0.24 C ATOM 353 CG LEU A 23 12.560 4.013 2.022 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.542 4.630 2.959 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.974 2.765 1.387 1.00 0.25 C ATOM 0 H LEU A 23 13.531 6.892 -0.547 1.00 0.28 H new ATOM 0 HA LEU A 23 13.299 6.659 2.291 1.00 0.27 H new ATOM 0 HB2 LEU A 23 12.095 5.370 0.431 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.584 4.477 0.199 1.00 0.24 H new ATOM 0 HG LEU A 23 13.446 3.745 2.598 1.00 0.26 H new ATOM 0 HD11 LEU A 23 11.255 3.900 3.716 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.976 5.504 3.443 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.661 4.930 2.392 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.674 2.066 2.168 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.104 3.036 0.788 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.722 2.296 0.748 1.00 0.25 H new ATOM 367 N PRO A 24 15.495 5.695 3.118 1.00 0.30 N ATOM 368 CA PRO A 24 16.814 5.270 3.589 1.00 0.32 C ATOM 369 C PRO A 24 17.114 3.835 3.179 1.00 0.30 C ATOM 370 O PRO A 24 16.239 2.967 3.255 1.00 0.28 O ATOM 371 CB PRO A 24 16.710 5.377 5.111 1.00 0.37 C ATOM 372 CG PRO A 24 15.255 5.358 5.408 1.00 0.36 C ATOM 373 CD PRO A 24 14.581 5.998 4.232 1.00 0.33 C ATOM 0 HA PRO A 24 17.617 5.876 3.169 1.00 0.32 H new ATOM 0 HB2 PRO A 24 17.222 4.548 5.599 1.00 0.37 H new ATOM 0 HB3 PRO A 24 17.173 6.295 5.473 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.900 4.338 5.552 1.00 0.36 H new ATOM 0 HG3 PRO A 24 15.038 5.904 6.326 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.587 5.584 4.062 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.459 7.072 4.373 1.00 0.33 H new ATOM 381 N ALA A 25 18.350 3.590 2.764 1.00 0.32 N ATOM 382 CA ALA A 25 18.778 2.261 2.325 1.00 0.34 C ATOM 383 C ALA A 25 18.456 1.207 3.372 1.00 0.35 C ATOM 384 O ALA A 25 18.066 0.086 3.046 1.00 0.36 O ATOM 385 CB ALA A 25 20.265 2.253 2.034 1.00 0.39 C ATOM 0 H ALA A 25 19.082 4.299 2.721 1.00 0.32 H new ATOM 0 HA ALA A 25 18.232 2.021 1.413 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.567 1.257 1.709 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.486 2.974 1.247 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.814 2.522 2.937 1.00 0.39 H new ATOM 391 N ASP A 26 18.617 1.591 4.627 1.00 0.37 N ATOM 392 CA ASP A 26 18.362 0.711 5.756 1.00 0.40 C ATOM 393 C ASP A 26 16.946 0.148 5.724 1.00 0.38 C ATOM 394 O ASP A 26 16.724 -1.007 6.082 1.00 0.42 O ATOM 395 CB ASP A 26 18.581 1.460 7.069 1.00 0.46 C ATOM 396 CG ASP A 26 20.045 1.714 7.360 1.00 1.27 C ATOM 397 OD1 ASP A 26 20.682 2.481 6.608 1.00 2.03 O ATOM 398 OD2 ASP A 26 20.564 1.148 8.339 1.00 2.03 O ATOM 0 H ASP A 26 18.929 2.525 4.893 1.00 0.37 H new ATOM 0 HA ASP A 26 19.062 -0.122 5.685 1.00 0.40 H new ATOM 0 HB2 ASP A 26 18.052 2.412 7.032 1.00 0.46 H new ATOM 0 HB3 ASP A 26 18.147 0.885 7.887 1.00 0.46 H new ATOM 403 N LYS A 27 15.982 0.973 5.323 1.00 0.35 N ATOM 404 CA LYS A 27 14.594 0.533 5.253 1.00 0.36 C ATOM 405 C LYS A 27 14.282 -0.043 3.885 1.00 0.32 C ATOM 406 O LYS A 27 13.457 -0.945 3.763 1.00 0.33 O ATOM 407 CB LYS A 27 13.630 1.677 5.573 1.00 0.39 C ATOM 408 CG LYS A 27 13.811 2.254 6.970 1.00 0.41 C ATOM 409 CD LYS A 27 13.616 1.192 8.048 1.00 0.48 C ATOM 410 CE LYS A 27 13.861 1.754 9.442 1.00 0.72 C ATOM 411 NZ LYS A 27 13.713 0.724 10.504 1.00 0.94 N ATOM 0 H LYS A 27 16.136 1.942 5.044 1.00 0.35 H new ATOM 0 HA LYS A 27 14.459 -0.246 6.003 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.767 2.472 4.840 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.606 1.319 5.467 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.808 2.685 7.060 1.00 0.41 H new ATOM 0 HG3 LYS A 27 13.099 3.064 7.124 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.603 0.795 7.989 1.00 0.48 H new ATOM 0 HD3 LYS A 27 14.296 0.360 7.866 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.864 2.178 9.488 1.00 0.72 H new ATOM 0 HE3 LYS A 27 13.162 2.569 9.630 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 13.889 1.156 11.433 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 12.748 0.337 10.480 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 14.398 -0.042 10.343 1.00 0.94 H new ATOM 425 N ILE A 28 14.950 0.480 2.866 1.00 0.30 N ATOM 426 CA ILE A 28 14.746 0.024 1.497 1.00 0.29 C ATOM 427 C ILE A 28 15.019 -1.470 1.382 1.00 0.34 C ATOM 428 O ILE A 28 14.131 -2.255 1.045 1.00 0.37 O ATOM 429 CB ILE A 28 15.680 0.754 0.500 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.333 2.236 0.388 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.619 0.098 -0.874 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.225 2.996 -0.575 1.00 0.26 C ATOM 0 H ILE A 28 15.641 1.224 2.962 1.00 0.30 H new ATOM 0 HA ILE A 28 13.708 0.245 1.249 1.00 0.29 H new ATOM 0 HB ILE A 28 16.696 0.673 0.887 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.297 2.335 0.065 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.405 2.693 1.375 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.282 0.626 -1.559 1.00 0.35 H new ATOM 0 HG22 ILE A 28 15.933 -0.943 -0.795 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.598 0.141 -1.253 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.921 4.042 -0.604 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.261 2.928 -0.242 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.135 2.564 -1.572 1.00 0.26 H new ATOM 444 N GLU A 29 16.254 -1.851 1.687 1.00 0.37 N ATOM 445 CA GLU A 29 16.678 -3.241 1.600 1.00 0.44 C ATOM 446 C GLU A 29 15.969 -4.104 2.640 1.00 0.43 C ATOM 447 O GLU A 29 15.819 -5.313 2.463 1.00 0.47 O ATOM 448 CB GLU A 29 18.196 -3.336 1.762 1.00 0.52 C ATOM 449 CG GLU A 29 18.965 -2.543 0.711 1.00 0.55 C ATOM 450 CD GLU A 29 18.702 -3.035 -0.703 1.00 0.94 C ATOM 451 OE1 GLU A 29 19.089 -4.182 -1.019 1.00 1.73 O ATOM 452 OE2 GLU A 29 18.107 -2.281 -1.504 1.00 1.41 O ATOM 0 H GLU A 29 16.984 -1.210 1.999 1.00 0.37 H new ATOM 0 HA GLU A 29 16.403 -3.621 0.616 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.472 -2.976 2.753 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.495 -4.383 1.709 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.690 -1.491 0.782 1.00 0.55 H new ATOM 0 HG3 GLU A 29 20.032 -2.608 0.921 1.00 0.55 H new ATOM 459 N MET A 30 15.525 -3.475 3.715 1.00 0.41 N ATOM 460 CA MET A 30 14.822 -4.176 4.778 1.00 0.43 C ATOM 461 C MET A 30 13.398 -4.512 4.343 1.00 0.40 C ATOM 462 O MET A 30 12.860 -5.555 4.696 1.00 0.41 O ATOM 463 CB MET A 30 14.800 -3.313 6.040 1.00 0.45 C ATOM 464 CG MET A 30 14.100 -3.956 7.225 1.00 0.46 C ATOM 465 SD MET A 30 15.028 -5.324 7.936 1.00 0.63 S ATOM 466 CE MET A 30 14.009 -6.699 7.416 1.00 0.97 C ATOM 0 H MET A 30 15.640 -2.474 3.876 1.00 0.41 H new ATOM 0 HA MET A 30 15.345 -5.108 4.993 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.826 -3.078 6.323 1.00 0.45 H new ATOM 0 HB3 MET A 30 14.308 -2.368 5.811 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.931 -3.201 7.993 1.00 0.46 H new ATOM 0 HG3 MET A 30 13.120 -4.314 6.910 1.00 0.46 H new ATOM 0 HE1 MET A 30 13.898 -7.402 8.241 1.00 0.97 H new ATOM 0 HE2 MET A 30 13.027 -6.332 7.118 1.00 0.97 H new ATOM 0 HE3 MET A 30 14.480 -7.202 6.571 1.00 0.97 H new ATOM 476 N GLY A 31 12.792 -3.627 3.557 1.00 0.39 N ATOM 477 CA GLY A 31 11.429 -3.852 3.107 1.00 0.39 C ATOM 478 C GLY A 31 11.318 -4.219 1.640 1.00 0.43 C ATOM 479 O GLY A 31 10.259 -4.043 1.033 1.00 0.51 O ATOM 0 H GLY A 31 13.218 -2.762 3.225 1.00 0.39 H new ATOM 0 HA2 GLY A 31 10.986 -4.649 3.705 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.843 -2.952 3.291 1.00 0.39 H new ATOM 483 N ARG A 32 12.378 -4.755 1.067 1.00 0.43 N ATOM 484 CA ARG A 32 12.358 -5.121 -0.345 1.00 0.50 C ATOM 485 C ARG A 32 12.349 -6.634 -0.512 1.00 0.44 C ATOM 486 O ARG A 32 13.047 -7.351 0.207 1.00 0.49 O ATOM 487 CB ARG A 32 13.547 -4.511 -1.093 1.00 0.60 C ATOM 488 CG ARG A 32 14.861 -5.239 -0.877 1.00 0.78 C ATOM 489 CD ARG A 32 15.932 -4.726 -1.819 1.00 0.71 C ATOM 490 NE ARG A 32 15.545 -4.874 -3.220 1.00 1.31 N ATOM 491 CZ ARG A 32 15.780 -3.951 -4.148 1.00 1.49 C ATOM 492 NH1 ARG A 32 16.507 -2.881 -3.848 1.00 1.65 N ATOM 493 NH2 ARG A 32 15.323 -4.116 -5.382 1.00 2.27 N ATOM 0 H ARG A 32 13.257 -4.947 1.547 1.00 0.43 H new ATOM 0 HA ARG A 32 11.442 -4.718 -0.777 1.00 0.50 H new ATOM 0 HB2 ARG A 32 13.323 -4.499 -2.160 1.00 0.60 H new ATOM 0 HB3 ARG A 32 13.664 -3.473 -0.780 1.00 0.60 H new ATOM 0 HG2 ARG A 32 15.187 -5.108 0.155 1.00 0.78 H new ATOM 0 HG3 ARG A 32 14.717 -6.308 -1.033 1.00 0.78 H new ATOM 0 HD2 ARG A 32 16.129 -3.675 -1.606 1.00 0.71 H new ATOM 0 HD3 ARG A 32 16.861 -5.267 -1.640 1.00 0.71 H new ATOM 0 HE ARG A 32 15.069 -5.731 -3.501 1.00 1.31 H new ATOM 0 HH11 ARG A 32 16.884 -2.768 -2.907 1.00 1.65 H new ATOM 0 HH12 ARG A 32 16.688 -2.172 -4.559 1.00 1.65 H new ATOM 0 HH21 ARG A 32 14.790 -4.952 -5.621 1.00 2.27 H new ATOM 0 HH22 ARG A 32 15.504 -3.407 -6.092 1.00 2.27 H new ATOM 507 N ASN A 33 11.538 -7.106 -1.460 1.00 0.53 N ATOM 508 CA ASN A 33 11.410 -8.537 -1.739 1.00 0.67 C ATOM 509 C ASN A 33 10.985 -9.303 -0.489 1.00 0.59 C ATOM 510 O ASN A 33 11.252 -10.499 -0.350 1.00 0.69 O ATOM 511 CB ASN A 33 12.729 -9.096 -2.279 1.00 0.80 C ATOM 512 CG ASN A 33 12.610 -9.625 -3.695 1.00 1.23 C ATOM 513 OD1 ASN A 33 13.180 -10.665 -4.026 1.00 1.72 O ATOM 514 ND2 ASN A 33 11.888 -8.910 -4.545 1.00 1.78 N ATOM 0 H ASN A 33 10.956 -6.513 -2.051 1.00 0.53 H new ATOM 0 HA ASN A 33 10.637 -8.665 -2.496 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.488 -8.314 -2.251 1.00 0.80 H new ATOM 0 HB3 ASN A 33 13.073 -9.897 -1.625 1.00 0.80 H new ATOM 0 HD21 ASN A 33 11.789 -9.216 -5.513 1.00 1.78 H new ATOM 0 HD22 ASN A 33 11.431 -8.054 -4.231 1.00 1.78 H new ATOM 521 N CYS A 34 10.324 -8.604 0.422 1.00 0.47 N ATOM 522 CA CYS A 34 9.862 -9.197 1.663 1.00 0.41 C ATOM 523 C CYS A 34 8.392 -9.573 1.551 1.00 0.41 C ATOM 524 O CYS A 34 7.655 -8.988 0.758 1.00 0.48 O ATOM 525 CB CYS A 34 10.101 -8.227 2.817 1.00 0.38 C ATOM 526 SG CYS A 34 11.854 -7.931 3.130 1.00 1.16 S ATOM 0 H CYS A 34 10.095 -7.615 0.321 1.00 0.47 H new ATOM 0 HA CYS A 34 10.424 -10.110 1.861 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.611 -7.279 2.596 1.00 0.38 H new ATOM 0 HB3 CYS A 34 9.637 -8.623 3.720 1.00 0.38 H new ATOM 0 HG CYS A 34 11.988 -6.888 3.894 1.00 1.16 H new ATOM 532 N LYS A 35 7.968 -10.549 2.339 1.00 0.39 N ATOM 533 CA LYS A 35 6.586 -11.009 2.290 1.00 0.42 C ATOM 534 C LYS A 35 5.667 -10.198 3.203 1.00 0.38 C ATOM 535 O LYS A 35 5.472 -10.538 4.371 1.00 0.40 O ATOM 536 CB LYS A 35 6.486 -12.498 2.638 1.00 0.47 C ATOM 537 CG LYS A 35 7.443 -12.957 3.722 1.00 0.48 C ATOM 538 CD LYS A 35 8.637 -13.681 3.125 1.00 1.13 C ATOM 539 CE LYS A 35 9.234 -14.678 4.101 1.00 1.64 C ATOM 540 NZ LYS A 35 9.853 -14.012 5.276 1.00 2.49 N ATOM 0 H LYS A 35 8.555 -11.036 3.016 1.00 0.39 H new ATOM 0 HA LYS A 35 6.249 -10.859 1.264 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.466 -12.716 2.955 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.671 -13.082 1.736 1.00 0.47 H new ATOM 0 HG2 LYS A 35 7.786 -12.097 4.297 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.922 -13.618 4.415 1.00 0.48 H new ATOM 0 HD2 LYS A 35 8.331 -14.200 2.216 1.00 1.13 H new ATOM 0 HD3 LYS A 35 9.397 -12.954 2.837 1.00 1.13 H new ATOM 0 HE2 LYS A 35 8.456 -15.361 4.441 1.00 1.64 H new ATOM 0 HE3 LYS A 35 9.985 -15.280 3.589 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 10.292 -14.728 5.890 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 10.579 -13.341 4.952 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 9.122 -13.500 5.810 1.00 2.49 H new ATOM 554 N ILE A 36 5.120 -9.115 2.668 1.00 0.36 N ATOM 555 CA ILE A 36 4.187 -8.280 3.415 1.00 0.34 C ATOM 556 C ILE A 36 2.760 -8.716 3.101 1.00 0.33 C ATOM 557 O ILE A 36 2.362 -8.755 1.938 1.00 0.41 O ATOM 558 CB ILE A 36 4.352 -6.776 3.081 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.670 -6.240 3.635 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.194 -5.960 3.642 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.857 -6.471 2.732 1.00 0.66 C ATOM 0 H ILE A 36 5.306 -8.793 1.718 1.00 0.36 H new ATOM 0 HA ILE A 36 4.402 -8.407 4.476 1.00 0.34 H new ATOM 0 HB ILE A 36 4.356 -6.680 1.995 1.00 0.41 H new ATOM 0 HG12 ILE A 36 5.567 -5.170 3.816 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.864 -6.709 4.600 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.336 -4.908 3.393 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.258 -6.312 3.210 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.159 -6.075 4.725 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.753 -6.061 3.197 1.00 0.66 H new ATOM 0 HD12 ILE A 36 6.989 -7.541 2.571 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.687 -5.978 1.775 1.00 0.66 H new ATOM 573 N VAL A 37 2.006 -9.063 4.131 1.00 0.29 N ATOM 574 CA VAL A 37 0.631 -9.499 3.943 1.00 0.29 C ATOM 575 C VAL A 37 -0.320 -8.319 4.068 1.00 0.30 C ATOM 576 O VAL A 37 -0.125 -7.446 4.909 1.00 0.37 O ATOM 577 CB VAL A 37 0.221 -10.579 4.967 1.00 0.29 C ATOM 578 CG1 VAL A 37 -1.086 -11.250 4.561 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.324 -11.609 5.140 1.00 0.32 C ATOM 0 H VAL A 37 2.320 -9.052 5.101 1.00 0.29 H new ATOM 0 HA VAL A 37 0.569 -9.929 2.943 1.00 0.29 H new ATOM 0 HB VAL A 37 0.063 -10.087 5.927 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.351 -12.006 5.300 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.877 -10.502 4.507 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.965 -11.722 3.586 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.011 -12.359 5.866 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.524 -12.092 4.183 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.229 -11.116 5.494 1.00 0.32 H new ATOM 589 N THR A 38 -1.339 -8.301 3.226 1.00 0.25 N ATOM 590 CA THR A 38 -2.326 -7.235 3.240 1.00 0.26 C ATOM 591 C THR A 38 -3.699 -7.799 3.592 1.00 0.24 C ATOM 592 O THR A 38 -4.315 -8.486 2.783 1.00 0.23 O ATOM 593 CB THR A 38 -2.395 -6.527 1.873 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.080 -6.131 1.465 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.303 -5.307 1.928 1.00 0.30 C ATOM 0 H THR A 38 -1.505 -9.018 2.520 1.00 0.25 H new ATOM 0 HA THR A 38 -2.026 -6.507 3.993 1.00 0.26 H new ATOM 0 HB THR A 38 -2.810 -7.228 1.149 1.00 0.27 H new ATOM 0 HG1 THR A 38 -1.129 -5.683 0.595 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.331 -4.830 0.949 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.310 -5.615 2.210 1.00 0.30 H new ATOM 0 HG23 THR A 38 -2.920 -4.601 2.665 1.00 0.30 H new ATOM 603 N GLU A 39 -4.166 -7.530 4.803 1.00 0.25 N ATOM 604 CA GLU A 39 -5.465 -8.030 5.235 1.00 0.25 C ATOM 605 C GLU A 39 -6.543 -6.977 5.016 1.00 0.24 C ATOM 606 O GLU A 39 -6.565 -5.944 5.690 1.00 0.28 O ATOM 607 CB GLU A 39 -5.417 -8.452 6.704 1.00 0.28 C ATOM 608 CG GLU A 39 -5.264 -9.952 6.891 1.00 0.38 C ATOM 609 CD GLU A 39 -4.800 -10.327 8.283 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.899 -9.486 9.201 1.00 1.39 O ATOM 611 OE2 GLU A 39 -4.324 -11.466 8.468 1.00 1.24 O ATOM 0 H GLU A 39 -3.670 -6.973 5.499 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.713 -8.905 4.635 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -4.586 -7.945 7.194 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.330 -8.122 7.200 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -6.218 -10.438 6.688 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -4.551 -10.333 6.160 1.00 0.38 H new ATOM 618 N VAL A 40 -7.428 -7.239 4.064 1.00 0.20 N ATOM 619 CA VAL A 40 -8.499 -6.311 3.740 1.00 0.20 C ATOM 620 C VAL A 40 -9.858 -6.850 4.141 1.00 0.21 C ATOM 621 O VAL A 40 -10.247 -7.946 3.741 1.00 0.20 O ATOM 622 CB VAL A 40 -8.541 -6.016 2.229 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.607 -4.984 1.910 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.182 -5.561 1.729 1.00 0.22 C ATOM 0 H VAL A 40 -7.424 -8.090 3.502 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.287 -5.400 4.300 1.00 0.20 H new ATOM 0 HB VAL A 40 -8.799 -6.940 1.711 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.618 -4.792 0.837 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.582 -5.360 2.221 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.388 -4.058 2.442 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.237 -5.359 0.659 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -6.886 -4.654 2.255 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.446 -6.344 1.913 1.00 0.22 H new ATOM 634 N VAL A 41 -10.573 -6.083 4.945 1.00 0.24 N ATOM 635 CA VAL A 41 -11.914 -6.453 5.348 1.00 0.27 C ATOM 636 C VAL A 41 -12.882 -5.392 4.819 1.00 0.29 C ATOM 637 O VAL A 41 -12.586 -4.196 4.866 1.00 0.31 O ATOM 638 CB VAL A 41 -12.041 -6.625 6.884 1.00 0.31 C ATOM 639 CG1 VAL A 41 -12.044 -5.288 7.606 1.00 0.70 C ATOM 640 CG2 VAL A 41 -13.284 -7.429 7.234 1.00 0.95 C ATOM 0 H VAL A 41 -10.244 -5.198 5.331 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.160 -7.426 4.922 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.163 -7.175 7.223 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -12.135 -5.454 8.679 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -11.113 -4.760 7.398 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -12.886 -4.689 7.259 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -13.354 -7.538 8.316 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -14.169 -6.911 6.863 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -13.221 -8.415 6.773 1.00 0.95 H new ATOM 650 N GLN A 42 -14.006 -5.823 4.266 1.00 0.31 N ATOM 651 CA GLN A 42 -14.973 -4.892 3.705 1.00 0.36 C ATOM 652 C GLN A 42 -16.177 -4.689 4.613 1.00 0.30 C ATOM 653 O GLN A 42 -16.887 -5.637 4.956 1.00 0.42 O ATOM 654 CB GLN A 42 -15.440 -5.381 2.334 1.00 0.53 C ATOM 655 CG GLN A 42 -16.612 -4.589 1.772 1.00 1.14 C ATOM 656 CD GLN A 42 -17.126 -5.158 0.467 1.00 1.35 C ATOM 657 OE1 GLN A 42 -16.992 -6.353 0.203 1.00 2.06 O ATOM 658 NE2 GLN A 42 -17.726 -4.314 -0.356 1.00 1.59 N ATOM 0 H GLN A 42 -14.270 -6.806 4.194 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.470 -3.930 3.605 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -14.606 -5.326 1.634 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -15.724 -6.431 2.409 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -17.421 -4.577 2.502 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -16.306 -3.554 1.618 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -17.817 -3.331 -0.101 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -18.097 -4.647 -1.246 1.00 1.59 H new ATOM 667 N ASN A 43 -16.390 -3.446 5.003 1.00 0.30 N ATOM 668 CA ASN A 43 -17.531 -3.076 5.822 1.00 0.37 C ATOM 669 C ASN A 43 -18.268 -1.935 5.132 1.00 0.34 C ATOM 670 O ASN A 43 -18.085 -0.762 5.471 1.00 0.37 O ATOM 671 CB ASN A 43 -17.094 -2.657 7.231 1.00 0.53 C ATOM 672 CG ASN A 43 -18.255 -2.606 8.207 1.00 0.97 C ATOM 673 OD1 ASN A 43 -19.412 -2.468 7.814 1.00 1.44 O ATOM 674 ND2 ASN A 43 -17.954 -2.708 9.491 1.00 1.73 N ATOM 0 H ASN A 43 -15.779 -2.666 4.762 1.00 0.30 H new ATOM 0 HA ASN A 43 -18.190 -3.937 5.932 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -16.344 -3.357 7.599 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -16.619 -1.677 7.185 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -18.694 -2.673 10.193 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -16.982 -2.822 9.780 1.00 1.73 H new ATOM 681 N GLY A 44 -19.068 -2.281 4.131 1.00 0.35 N ATOM 682 CA GLY A 44 -19.800 -1.282 3.386 1.00 0.37 C ATOM 683 C GLY A 44 -18.888 -0.549 2.430 1.00 0.34 C ATOM 684 O GLY A 44 -18.641 -1.005 1.315 1.00 0.40 O ATOM 0 H GLY A 44 -19.221 -3.241 3.823 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.610 -1.756 2.831 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.258 -0.572 4.074 1.00 0.37 H new ATOM 688 N ASN A 45 -18.373 0.583 2.872 1.00 0.31 N ATOM 689 CA ASN A 45 -17.453 1.363 2.062 1.00 0.29 C ATOM 690 C ASN A 45 -16.153 1.565 2.818 1.00 0.28 C ATOM 691 O ASN A 45 -15.273 2.306 2.380 1.00 0.29 O ATOM 692 CB ASN A 45 -18.062 2.707 1.677 1.00 0.32 C ATOM 693 CG ASN A 45 -18.412 2.774 0.204 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.330 3.835 -0.414 1.00 0.41 O ATOM 695 ND2 ASN A 45 -18.809 1.645 -0.369 1.00 0.43 N ATOM 0 H ASN A 45 -18.576 0.984 3.788 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.251 0.816 1.141 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -18.959 2.881 2.271 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.360 3.505 1.919 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -19.060 1.636 -1.358 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -18.863 0.787 0.179 1.00 0.43 H new ATOM 702 N ASP A 46 -16.052 0.904 3.961 1.00 0.30 N ATOM 703 CA ASP A 46 -14.864 0.985 4.789 1.00 0.29 C ATOM 704 C ASP A 46 -13.960 -0.201 4.506 1.00 0.28 C ATOM 705 O ASP A 46 -14.293 -1.343 4.832 1.00 0.36 O ATOM 706 CB ASP A 46 -15.248 1.010 6.274 1.00 0.33 C ATOM 707 CG ASP A 46 -14.061 1.268 7.184 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.519 2.392 7.153 1.00 1.36 O ATOM 709 OD2 ASP A 46 -13.675 0.356 7.943 1.00 1.29 O ATOM 0 H ASP A 46 -16.785 0.302 4.336 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.332 1.907 4.552 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -16.000 1.782 6.437 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.706 0.058 6.542 1.00 0.33 H new ATOM 714 N PHE A 47 -12.837 0.073 3.868 1.00 0.23 N ATOM 715 CA PHE A 47 -11.867 -0.952 3.544 1.00 0.23 C ATOM 716 C PHE A 47 -10.649 -0.781 4.430 1.00 0.23 C ATOM 717 O PHE A 47 -10.249 0.341 4.740 1.00 0.24 O ATOM 718 CB PHE A 47 -11.481 -0.876 2.064 1.00 0.25 C ATOM 719 CG PHE A 47 -12.583 -1.320 1.139 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.597 -0.449 0.774 1.00 0.97 C ATOM 721 CD2 PHE A 47 -12.609 -2.613 0.644 1.00 0.81 C ATOM 722 CE1 PHE A 47 -14.615 -0.858 -0.067 1.00 1.00 C ATOM 723 CE2 PHE A 47 -13.623 -3.028 -0.198 1.00 0.82 C ATOM 724 CZ PHE A 47 -14.627 -2.150 -0.553 1.00 0.34 C ATOM 0 H PHE A 47 -12.574 1.010 3.561 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.303 -1.935 3.723 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -11.202 0.149 1.820 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.600 -1.495 1.893 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.592 0.563 1.152 1.00 0.97 H new ATOM 0 HD2 PHE A 47 -11.827 -3.305 0.919 1.00 0.81 H new ATOM 0 HE1 PHE A 47 -15.399 -0.168 -0.343 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -13.630 -4.039 -0.578 1.00 0.82 H new ATOM 0 HZ PHE A 47 -15.421 -2.473 -1.210 1.00 0.34 H new ATOM 734 N THR A 48 -10.065 -1.882 4.858 1.00 0.26 N ATOM 735 CA THR A 48 -8.911 -1.808 5.728 1.00 0.27 C ATOM 736 C THR A 48 -7.653 -2.301 5.042 1.00 0.28 C ATOM 737 O THR A 48 -7.662 -3.327 4.363 1.00 0.38 O ATOM 738 CB THR A 48 -9.124 -2.637 7.002 1.00 0.29 C ATOM 739 OG1 THR A 48 -9.329 -4.014 6.655 1.00 0.53 O ATOM 740 CG2 THR A 48 -10.315 -2.115 7.792 1.00 0.56 C ATOM 0 H THR A 48 -10.366 -2.827 4.621 1.00 0.26 H new ATOM 0 HA THR A 48 -8.789 -0.756 5.985 1.00 0.27 H new ATOM 0 HB THR A 48 -8.235 -2.551 7.627 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.100 -4.582 7.420 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.448 -2.717 8.691 1.00 0.56 H new ATOM 0 HG22 THR A 48 -10.138 -1.077 8.074 1.00 0.56 H new ATOM 0 HG23 THR A 48 -11.214 -2.176 7.178 1.00 0.56 H new ATOM 748 N TRP A 49 -6.580 -1.562 5.226 1.00 0.23 N ATOM 749 CA TRP A 49 -5.298 -1.935 4.669 1.00 0.23 C ATOM 750 C TRP A 49 -4.374 -2.334 5.804 1.00 0.23 C ATOM 751 O TRP A 49 -3.813 -1.483 6.497 1.00 0.24 O ATOM 752 CB TRP A 49 -4.692 -0.772 3.888 1.00 0.25 C ATOM 753 CG TRP A 49 -4.363 -1.118 2.468 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.134 -1.064 1.882 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.272 -1.565 1.454 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.221 -1.450 0.568 1.00 0.38 N ATOM 757 CE2 TRP A 49 -4.518 -1.764 0.280 1.00 0.36 C ATOM 758 CE3 TRP A 49 -6.645 -1.820 1.421 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.093 -2.205 -0.907 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.213 -2.256 0.240 1.00 0.38 C ATOM 761 CH2 TRP A 49 -6.438 -2.445 -0.910 1.00 0.42 C ATOM 0 H TRP A 49 -6.571 -0.694 5.761 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.431 -2.771 3.982 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.389 0.066 3.898 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -3.785 -0.438 4.393 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.224 -0.762 2.379 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -2.442 -1.495 -0.088 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.252 -1.679 2.303 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -4.497 -2.353 -1.796 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -8.274 -2.455 0.203 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -6.913 -2.787 -1.818 1.00 0.42 H new ATOM 772 N THR A 50 -4.240 -3.626 6.013 1.00 0.22 N ATOM 773 CA THR A 50 -3.377 -4.127 7.064 1.00 0.24 C ATOM 774 C THR A 50 -2.108 -4.703 6.469 1.00 0.25 C ATOM 775 O THR A 50 -2.162 -5.650 5.698 1.00 0.35 O ATOM 776 CB THR A 50 -4.081 -5.207 7.900 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.441 -4.822 8.149 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.355 -5.431 9.218 1.00 0.28 C ATOM 0 H THR A 50 -4.716 -4.348 5.471 1.00 0.22 H new ATOM 0 HA THR A 50 -3.131 -3.289 7.716 1.00 0.24 H new ATOM 0 HB THR A 50 -4.067 -6.141 7.338 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.006 -5.118 7.405 1.00 0.27 H new ATOM 0 HG21 THR A 50 -3.872 -6.200 9.792 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.332 -5.752 9.020 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.340 -4.502 9.787 1.00 0.28 H new ATOM 786 N GLN A 51 -0.971 -4.117 6.822 1.00 0.22 N ATOM 787 CA GLN A 51 0.312 -4.578 6.319 1.00 0.23 C ATOM 788 C GLN A 51 1.053 -5.337 7.405 1.00 0.22 C ATOM 789 O GLN A 51 1.397 -4.774 8.445 1.00 0.24 O ATOM 790 CB GLN A 51 1.174 -3.398 5.859 1.00 0.27 C ATOM 791 CG GLN A 51 0.970 -2.984 4.408 1.00 0.56 C ATOM 792 CD GLN A 51 -0.421 -2.453 4.137 1.00 0.71 C ATOM 793 OE1 GLN A 51 -1.232 -3.240 3.450 1.00 1.62 O flip ATOM 794 NE2 GLN A 51 -0.757 -1.333 4.522 1.00 0.82 N flip ATOM 0 H GLN A 51 -0.914 -3.320 7.456 1.00 0.22 H new ATOM 0 HA GLN A 51 0.125 -5.234 5.469 1.00 0.23 H new ATOM 0 HB2 GLN A 51 0.963 -2.541 6.499 1.00 0.27 H new ATOM 0 HB3 GLN A 51 2.223 -3.655 6.005 1.00 0.27 H new ATOM 0 HG2 GLN A 51 1.702 -2.220 4.147 1.00 0.56 H new ATOM 0 HG3 GLN A 51 1.159 -3.841 3.761 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -0.101 -0.757 5.050 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -1.691 -0.981 4.313 1.00 0.82 H new ATOM 803 N HIS A 52 1.309 -6.604 7.151 1.00 0.22 N ATOM 804 CA HIS A 52 2.018 -7.442 8.100 1.00 0.23 C ATOM 805 C HIS A 52 3.429 -7.688 7.620 1.00 0.23 C ATOM 806 O HIS A 52 3.644 -8.252 6.545 1.00 0.26 O ATOM 807 CB HIS A 52 1.292 -8.777 8.299 1.00 0.24 C ATOM 808 CG HIS A 52 -0.026 -8.657 9.007 1.00 0.26 C ATOM 809 ND1 HIS A 52 -0.092 -8.395 10.356 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.287 -8.791 8.520 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.382 -8.373 10.657 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.144 -8.608 9.577 1.00 0.35 N ATOM 0 H HIS A 52 1.035 -7.079 6.291 1.00 0.22 H new ATOM 0 HA HIS A 52 2.050 -6.923 9.058 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.129 -9.238 7.325 1.00 0.24 H new ATOM 0 HB3 HIS A 52 1.937 -9.448 8.866 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.563 -9.001 7.497 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.772 -8.189 11.647 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.163 -8.644 9.547 1.00 0.35 H new ATOM 820 N PHE A 53 4.384 -7.263 8.425 1.00 0.25 N ATOM 821 CA PHE A 53 5.785 -7.414 8.093 1.00 0.27 C ATOM 822 C PHE A 53 6.372 -8.649 8.760 1.00 0.31 C ATOM 823 O PHE A 53 6.080 -8.926 9.925 1.00 0.34 O ATOM 824 CB PHE A 53 6.558 -6.172 8.527 1.00 0.24 C ATOM 825 CG PHE A 53 7.813 -5.967 7.750 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.750 -5.622 6.415 1.00 1.20 C ATOM 827 CD2 PHE A 53 9.048 -6.128 8.344 1.00 1.13 C ATOM 828 CE1 PHE A 53 8.905 -5.436 5.683 1.00 1.23 C ATOM 829 CE2 PHE A 53 10.206 -5.944 7.623 1.00 1.13 C ATOM 830 CZ PHE A 53 10.136 -5.597 6.289 1.00 0.34 C ATOM 0 H PHE A 53 4.211 -6.807 9.321 1.00 0.25 H new ATOM 0 HA PHE A 53 5.870 -7.535 7.013 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.920 -5.296 8.414 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.802 -6.254 9.586 1.00 0.24 H new ATOM 0 HD1 PHE A 53 6.789 -5.497 5.939 1.00 1.20 H new ATOM 0 HD2 PHE A 53 9.107 -6.402 9.387 1.00 1.13 H new ATOM 0 HE1 PHE A 53 8.847 -5.165 4.639 1.00 1.23 H new ATOM 0 HE2 PHE A 53 11.167 -6.071 8.100 1.00 1.13 H new ATOM 0 HZ PHE A 53 11.042 -5.452 5.720 1.00 0.34 H new ATOM 840 N PRO A 54 7.189 -9.415 8.020 1.00 0.35 N ATOM 841 CA PRO A 54 7.826 -10.620 8.548 1.00 0.41 C ATOM 842 C PRO A 54 8.822 -10.295 9.655 1.00 0.39 C ATOM 843 O PRO A 54 9.847 -9.660 9.409 1.00 0.37 O ATOM 844 CB PRO A 54 8.556 -11.202 7.331 1.00 0.46 C ATOM 845 CG PRO A 54 8.727 -10.063 6.389 1.00 0.45 C ATOM 846 CD PRO A 54 7.549 -9.167 6.612 1.00 0.39 C ATOM 0 HA PRO A 54 7.104 -11.305 8.994 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.520 -11.624 7.616 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.979 -12.006 6.874 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.661 -9.535 6.580 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.763 -10.412 5.357 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.803 -8.121 6.441 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.727 -9.410 5.939 1.00 0.39 H new ATOM 854 N GLY A 55 8.513 -10.733 10.871 1.00 0.43 N ATOM 855 CA GLY A 55 9.390 -10.486 12.002 1.00 0.46 C ATOM 856 C GLY A 55 9.694 -9.013 12.228 1.00 0.41 C ATOM 857 O GLY A 55 10.804 -8.663 12.623 1.00 0.43 O ATOM 0 H GLY A 55 7.667 -11.257 11.095 1.00 0.43 H new ATOM 0 HA2 GLY A 55 8.932 -10.896 12.902 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.327 -11.022 11.848 1.00 0.46 H new ATOM 861 N GLY A 56 8.718 -8.150 11.977 1.00 0.37 N ATOM 862 CA GLY A 56 8.932 -6.731 12.156 1.00 0.34 C ATOM 863 C GLY A 56 7.690 -6.004 12.613 1.00 0.35 C ATOM 864 O GLY A 56 6.731 -6.627 13.072 1.00 0.41 O ATOM 0 H GLY A 56 7.786 -8.408 11.654 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.726 -6.578 12.886 1.00 0.34 H new ATOM 0 HA3 GLY A 56 9.275 -6.299 11.216 1.00 0.34 H new ATOM 868 N ARG A 57 7.711 -4.685 12.491 1.00 0.34 N ATOM 869 CA ARG A 57 6.587 -3.854 12.901 1.00 0.38 C ATOM 870 C ARG A 57 5.414 -4.025 11.938 1.00 0.31 C ATOM 871 O ARG A 57 5.610 -4.222 10.740 1.00 0.28 O ATOM 872 CB ARG A 57 7.011 -2.381 12.985 1.00 0.45 C ATOM 873 CG ARG A 57 7.379 -1.763 11.645 1.00 0.43 C ATOM 874 CD ARG A 57 6.269 -0.860 11.128 1.00 0.53 C ATOM 875 NE ARG A 57 6.194 0.385 11.890 1.00 1.58 N ATOM 876 CZ ARG A 57 5.185 1.251 11.818 1.00 2.33 C ATOM 877 NH1 ARG A 57 4.133 0.995 11.052 1.00 2.27 N ATOM 878 NH2 ARG A 57 5.231 2.370 12.531 1.00 3.34 N ATOM 0 H ARG A 57 8.500 -4.164 12.109 1.00 0.34 H new ATOM 0 HA ARG A 57 6.264 -4.174 13.892 1.00 0.38 H new ATOM 0 HB2 ARG A 57 6.198 -1.805 13.428 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.864 -2.298 13.658 1.00 0.45 H new ATOM 0 HG2 ARG A 57 8.300 -1.188 11.748 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.575 -2.553 10.920 1.00 0.43 H new ATOM 0 HD2 ARG A 57 6.442 -0.634 10.076 1.00 0.53 H new ATOM 0 HD3 ARG A 57 5.315 -1.383 11.189 1.00 0.53 H new ATOM 0 HE ARG A 57 6.966 0.605 12.519 1.00 1.58 H new ATOM 0 HH11 ARG A 57 4.093 0.130 10.513 1.00 2.27 H new ATOM 0 HH12 ARG A 57 3.364 1.663 11.002 1.00 2.27 H new ATOM 0 HH21 ARG A 57 6.035 2.561 13.128 1.00 3.34 H new ATOM 0 HH22 ARG A 57 4.462 3.038 12.481 1.00 3.34 H new ATOM 892 N THR A 58 4.206 -3.949 12.467 1.00 0.36 N ATOM 893 CA THR A 58 3.006 -4.101 11.662 1.00 0.31 C ATOM 894 C THR A 58 2.304 -2.755 11.496 1.00 0.28 C ATOM 895 O THR A 58 2.580 -1.807 12.237 1.00 0.33 O ATOM 896 CB THR A 58 2.043 -5.141 12.279 1.00 0.35 C ATOM 897 OG1 THR A 58 1.077 -5.556 11.308 1.00 0.34 O ATOM 898 CG2 THR A 58 1.330 -4.585 13.504 1.00 0.39 C ATOM 0 H THR A 58 4.029 -3.782 13.458 1.00 0.36 H new ATOM 0 HA THR A 58 3.305 -4.466 10.679 1.00 0.31 H new ATOM 0 HB THR A 58 2.639 -5.998 12.592 1.00 0.35 H new ATOM 0 HG1 THR A 58 1.388 -5.311 10.412 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.661 -5.343 13.911 1.00 0.39 H new ATOM 0 HG22 THR A 58 2.066 -4.307 14.258 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.751 -3.706 13.220 1.00 0.39 H new ATOM 906 N THR A 59 1.433 -2.660 10.501 1.00 0.25 N ATOM 907 CA THR A 59 0.705 -1.429 10.234 1.00 0.27 C ATOM 908 C THR A 59 -0.736 -1.739 9.825 1.00 0.24 C ATOM 909 O THR A 59 -0.991 -2.720 9.133 1.00 0.36 O ATOM 910 CB THR A 59 1.395 -0.615 9.121 1.00 0.32 C ATOM 911 OG1 THR A 59 2.814 -0.847 9.151 1.00 0.49 O ATOM 912 CG2 THR A 59 1.118 0.870 9.289 1.00 0.48 C ATOM 0 H THR A 59 1.213 -3.425 9.863 1.00 0.25 H new ATOM 0 HA THR A 59 0.698 -0.837 11.149 1.00 0.27 H new ATOM 0 HB THR A 59 0.993 -0.939 8.161 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.245 -0.328 8.440 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.614 1.425 8.493 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.044 1.048 9.240 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.497 1.204 10.255 1.00 0.48 H new ATOM 920 N THR A 60 -1.681 -0.928 10.282 1.00 0.26 N ATOM 921 CA THR A 60 -3.085 -1.135 9.954 1.00 0.23 C ATOM 922 C THR A 60 -3.797 0.195 9.741 1.00 0.22 C ATOM 923 O THR A 60 -3.851 1.029 10.644 1.00 0.26 O ATOM 924 CB THR A 60 -3.804 -1.911 11.069 1.00 0.25 C ATOM 925 OG1 THR A 60 -2.960 -2.965 11.556 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.115 -2.491 10.562 1.00 0.24 C ATOM 0 H THR A 60 -1.501 -0.122 10.880 1.00 0.26 H new ATOM 0 HA THR A 60 -3.118 -1.715 9.032 1.00 0.23 H new ATOM 0 HB THR A 60 -4.023 -1.220 11.883 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.424 -3.454 12.267 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.607 -3.036 11.367 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.763 -1.683 10.222 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.916 -3.170 9.733 1.00 0.24 H new ATOM 934 N ASN A 61 -4.337 0.397 8.544 1.00 0.25 N ATOM 935 CA ASN A 61 -5.044 1.635 8.237 1.00 0.26 C ATOM 936 C ASN A 61 -6.438 1.355 7.709 1.00 0.29 C ATOM 937 O ASN A 61 -6.616 0.660 6.712 1.00 0.51 O ATOM 938 CB ASN A 61 -4.274 2.479 7.214 1.00 0.36 C ATOM 939 CG ASN A 61 -2.789 2.553 7.504 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.358 3.280 8.391 1.00 1.43 O ATOM 941 ND2 ASN A 61 -1.992 1.814 6.746 1.00 1.72 N ATOM 0 H ASN A 61 -4.300 -0.274 7.777 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.123 2.195 9.169 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.424 2.059 6.219 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -4.686 3.488 7.200 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -0.983 1.839 6.892 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -2.388 1.221 6.017 1.00 1.72 H new ATOM 948 N SER A 62 -7.422 1.894 8.392 1.00 0.21 N ATOM 949 CA SER A 62 -8.802 1.727 8.000 1.00 0.25 C ATOM 950 C SER A 62 -9.292 3.001 7.331 1.00 0.23 C ATOM 951 O SER A 62 -9.067 4.098 7.847 1.00 0.29 O ATOM 952 CB SER A 62 -9.625 1.391 9.236 1.00 0.34 C ATOM 953 OG SER A 62 -9.535 2.423 10.201 1.00 1.04 O ATOM 0 H SER A 62 -7.289 2.458 9.231 1.00 0.21 H new ATOM 0 HA SER A 62 -8.905 0.911 7.284 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.667 1.242 8.954 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.274 0.453 9.667 1.00 0.34 H new ATOM 0 HG SER A 62 -10.073 2.186 10.985 1.00 1.04 H new ATOM 959 N PHE A 63 -9.935 2.868 6.184 1.00 0.18 N ATOM 960 CA PHE A 63 -10.414 4.036 5.463 1.00 0.17 C ATOM 961 C PHE A 63 -11.785 3.801 4.845 1.00 0.18 C ATOM 962 O PHE A 63 -12.085 2.721 4.339 1.00 0.24 O ATOM 963 CB PHE A 63 -9.415 4.433 4.367 1.00 0.17 C ATOM 964 CG PHE A 63 -9.124 3.334 3.382 1.00 0.18 C ATOM 965 CD1 PHE A 63 -8.128 2.405 3.628 1.00 0.86 C ATOM 966 CD2 PHE A 63 -9.857 3.227 2.210 1.00 0.88 C ATOM 967 CE1 PHE A 63 -7.868 1.391 2.728 1.00 0.88 C ATOM 968 CE2 PHE A 63 -9.603 2.214 1.310 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.607 1.296 1.567 1.00 0.23 C ATOM 0 H PHE A 63 -10.136 1.974 5.735 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.506 4.846 6.186 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.805 5.297 3.828 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.481 4.745 4.835 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -7.547 2.474 4.536 1.00 0.86 H new ATOM 0 HD2 PHE A 63 -10.636 3.945 2.000 1.00 0.88 H new ATOM 0 HE1 PHE A 63 -7.087 0.673 2.933 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -10.185 2.140 0.403 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.406 0.504 0.861 1.00 0.23 H new ATOM 979 N THR A 64 -12.612 4.827 4.885 1.00 0.17 N ATOM 980 CA THR A 64 -13.932 4.759 4.307 1.00 0.19 C ATOM 981 C THR A 64 -13.964 5.586 3.026 1.00 0.18 C ATOM 982 O THR A 64 -13.548 6.741 3.025 1.00 0.19 O ATOM 983 CB THR A 64 -14.995 5.274 5.299 1.00 0.21 C ATOM 984 OG1 THR A 64 -15.071 4.406 6.437 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.365 5.386 4.646 1.00 0.22 C ATOM 0 H THR A 64 -12.387 5.723 5.317 1.00 0.17 H new ATOM 0 HA THR A 64 -14.163 3.719 4.077 1.00 0.19 H new ATOM 0 HB THR A 64 -14.691 6.271 5.619 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.242 3.888 6.509 1.00 0.25 H new ATOM 0 HG21 THR A 64 -17.087 5.752 5.376 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.313 6.081 3.808 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.678 4.406 4.286 1.00 0.22 H new ATOM 993 N ILE A 65 -14.398 4.974 1.931 1.00 0.18 N ATOM 994 CA ILE A 65 -14.479 5.671 0.658 1.00 0.18 C ATOM 995 C ILE A 65 -15.321 6.941 0.782 1.00 0.21 C ATOM 996 O ILE A 65 -16.459 6.899 1.265 1.00 0.24 O ATOM 997 CB ILE A 65 -15.076 4.773 -0.442 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.297 3.455 -0.552 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.080 5.504 -1.773 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -12.836 3.631 -0.908 1.00 0.19 C ATOM 0 H ILE A 65 -14.698 4.000 1.901 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.460 5.939 0.378 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.105 4.536 -0.172 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.368 2.923 0.397 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -14.771 2.827 -1.306 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.504 4.858 -2.542 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.680 6.410 -1.689 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.058 5.769 -2.045 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.356 2.654 -0.967 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -12.754 4.134 -1.872 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.345 4.232 -0.142 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.727 8.059 0.351 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.349 9.385 0.382 1.00 0.23 C ATOM 1014 C ASP A 66 -15.345 9.940 1.800 1.00 0.23 C ATOM 1015 O ASP A 66 -16.129 10.822 2.150 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.773 9.343 -0.186 1.00 0.27 C ATOM 1017 CG ASP A 66 -17.282 10.704 -0.614 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.566 11.406 -1.356 1.00 1.10 O ATOM 1019 OD2 ASP A 66 -18.410 11.073 -0.226 1.00 1.04 O ATOM 0 H ASP A 66 -13.783 8.067 -0.036 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.762 10.051 -0.250 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.797 8.667 -1.041 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.446 8.930 0.566 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.441 9.417 2.612 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.308 9.836 3.998 1.00 0.22 C ATOM 1026 C LYS A 67 -12.833 9.993 4.364 1.00 0.21 C ATOM 1027 O LYS A 67 -11.977 9.289 3.820 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.980 8.799 4.903 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.706 8.977 6.389 1.00 0.25 C ATOM 1030 CD LYS A 67 -15.295 10.271 6.918 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.634 10.675 8.219 1.00 1.15 C ATOM 1032 NZ LYS A 67 -14.911 12.091 8.560 1.00 1.59 N ATOM 0 H LYS A 67 -13.781 8.692 2.330 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.795 10.801 4.135 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -16.057 8.838 4.739 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.647 7.805 4.603 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -15.125 8.135 6.940 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.630 8.969 6.564 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -15.166 11.062 6.179 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.367 10.150 7.073 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -14.990 10.031 9.023 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -13.557 10.523 8.142 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -14.620 12.275 9.541 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -14.379 12.713 7.919 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -15.929 12.280 8.459 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.529 10.936 5.249 1.00 0.24 N ATOM 1047 CA GLU A 68 -11.157 11.146 5.691 1.00 0.26 C ATOM 1048 C GLU A 68 -10.758 10.027 6.644 1.00 0.23 C ATOM 1049 O GLU A 68 -11.526 9.658 7.532 1.00 0.34 O ATOM 1050 CB GLU A 68 -11.002 12.498 6.389 1.00 0.34 C ATOM 1051 CG GLU A 68 -11.447 13.684 5.548 1.00 1.35 C ATOM 1052 CD GLU A 68 -12.949 13.902 5.568 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -13.624 13.373 6.478 1.00 2.55 O ATOM 1054 OE2 GLU A 68 -13.462 14.601 4.672 1.00 2.51 O ATOM 0 H GLU A 68 -13.212 11.564 5.673 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.507 11.140 4.816 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -11.578 12.486 7.314 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -9.957 12.634 6.666 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -10.951 14.584 5.910 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -11.122 13.533 4.519 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.564 9.492 6.466 1.00 0.20 N ATOM 1062 CA ALA A 69 -9.094 8.405 7.306 1.00 0.18 C ATOM 1063 C ALA A 69 -7.737 8.718 7.915 1.00 0.21 C ATOM 1064 O ALA A 69 -7.006 9.574 7.418 1.00 0.31 O ATOM 1065 CB ALA A 69 -9.019 7.124 6.496 1.00 0.18 C ATOM 0 H ALA A 69 -8.903 9.791 5.749 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.804 8.278 8.123 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.666 6.312 7.131 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -10.009 6.879 6.110 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.329 7.260 5.663 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.413 8.014 8.990 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.141 8.178 9.681 1.00 0.24 C ATOM 1073 C ASP A 70 -5.220 7.044 9.267 1.00 0.22 C ATOM 1074 O ASP A 70 -5.560 5.870 9.430 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.343 8.179 11.199 1.00 0.31 C ATOM 1076 CG ASP A 70 -5.036 8.131 11.963 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -4.167 8.985 11.712 1.00 1.87 O ATOM 1078 OD2 ASP A 70 -4.888 7.258 12.846 1.00 1.95 O ATOM 0 H ASP A 70 -8.024 7.313 9.408 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.697 9.135 9.409 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -6.895 9.074 11.487 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -6.955 7.322 11.480 1.00 0.31 H new ATOM 1083 N MET A 71 -4.076 7.388 8.710 1.00 0.20 N ATOM 1084 CA MET A 71 -3.144 6.390 8.240 1.00 0.20 C ATOM 1085 C MET A 71 -1.755 6.578 8.820 1.00 0.22 C ATOM 1086 O MET A 71 -1.398 7.651 9.313 1.00 0.26 O ATOM 1087 CB MET A 71 -3.046 6.445 6.721 1.00 0.22 C ATOM 1088 CG MET A 71 -4.392 6.507 6.049 1.00 0.19 C ATOM 1089 SD MET A 71 -4.401 7.593 4.620 1.00 0.20 S ATOM 1090 CE MET A 71 -6.162 7.727 4.388 1.00 0.20 C ATOM 0 H MET A 71 -3.772 8.352 8.573 1.00 0.20 H new ATOM 0 HA MET A 71 -3.524 5.423 8.569 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.460 7.317 6.431 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.508 5.567 6.365 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.686 5.504 5.740 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.137 6.851 6.767 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.374 7.985 3.350 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.634 6.774 4.628 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.557 8.503 5.043 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.988 5.514 8.741 1.00 0.24 N ATOM 1101 CA GLU A 72 0.378 5.493 9.187 1.00 0.25 C ATOM 1102 C GLU A 72 1.175 4.642 8.203 1.00 0.26 C ATOM 1103 O GLU A 72 0.660 3.646 7.688 1.00 0.29 O ATOM 1104 CB GLU A 72 0.477 4.933 10.612 1.00 0.28 C ATOM 1105 CG GLU A 72 1.810 4.263 10.917 1.00 0.30 C ATOM 1106 CD GLU A 72 2.112 4.162 12.395 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.168 4.075 13.203 1.00 1.47 O ATOM 1108 OE2 GLU A 72 3.306 4.176 12.756 1.00 1.32 O ATOM 0 H GLU A 72 -1.307 4.624 8.357 1.00 0.24 H new ATOM 0 HA GLU A 72 0.783 6.505 9.217 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.317 5.744 11.323 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.325 4.211 10.766 1.00 0.28 H new ATOM 0 HG2 GLU A 72 1.811 3.262 10.485 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.608 4.822 10.429 1.00 0.30 H new ATOM 1115 N THR A 73 2.396 5.043 7.908 1.00 0.26 N ATOM 1116 CA THR A 73 3.228 4.294 6.979 1.00 0.28 C ATOM 1117 C THR A 73 3.990 3.194 7.702 1.00 0.30 C ATOM 1118 O THR A 73 3.778 2.952 8.892 1.00 0.36 O ATOM 1119 CB THR A 73 4.239 5.204 6.263 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.181 5.728 7.213 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.536 6.349 5.548 1.00 0.32 C ATOM 0 H THR A 73 2.835 5.879 8.294 1.00 0.26 H new ATOM 0 HA THR A 73 2.558 3.856 6.239 1.00 0.28 H new ATOM 0 HB THR A 73 4.765 4.608 5.517 1.00 0.28 H new ATOM 0 HG1 THR A 73 6.066 5.790 6.796 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.276 6.976 5.051 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.845 5.946 4.808 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.983 6.946 6.273 1.00 0.32 H new ATOM 1129 N MET A 74 4.890 2.546 6.985 1.00 0.32 N ATOM 1130 CA MET A 74 5.684 1.477 7.553 1.00 0.34 C ATOM 1131 C MET A 74 6.953 2.052 8.169 1.00 0.31 C ATOM 1132 O MET A 74 7.728 1.334 8.801 1.00 0.37 O ATOM 1133 CB MET A 74 6.025 0.437 6.486 1.00 0.42 C ATOM 1134 CG MET A 74 4.825 -0.013 5.661 1.00 0.76 C ATOM 1135 SD MET A 74 5.248 -1.285 4.453 1.00 0.93 S ATOM 1136 CE MET A 74 5.410 -2.712 5.522 1.00 1.05 C ATOM 0 H MET A 74 5.088 2.744 6.004 1.00 0.32 H new ATOM 0 HA MET A 74 5.106 0.982 8.333 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.780 0.850 5.817 1.00 0.42 H new ATOM 0 HB3 MET A 74 6.469 -0.433 6.969 1.00 0.42 H new ATOM 0 HG2 MET A 74 4.053 -0.394 6.329 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.402 0.848 5.143 1.00 0.76 H new ATOM 0 HE1 MET A 74 6.391 -3.165 5.378 1.00 1.05 H new ATOM 0 HE2 MET A 74 5.303 -2.402 6.561 1.00 1.05 H new ATOM 0 HE3 MET A 74 4.635 -3.439 5.279 1.00 1.05 H new ATOM 1146 N GLY A 75 7.164 3.348 7.958 1.00 0.28 N ATOM 1147 CA GLY A 75 8.318 4.019 8.514 1.00 0.31 C ATOM 1148 C GLY A 75 7.994 4.655 9.853 1.00 0.35 C ATOM 1149 O GLY A 75 8.846 4.735 10.742 1.00 0.48 O ATOM 0 H GLY A 75 6.549 3.947 7.407 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.133 3.305 8.636 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.666 4.784 7.820 1.00 0.31 H new ATOM 1153 N GLY A 76 6.752 5.104 10.001 1.00 0.34 N ATOM 1154 CA GLY A 76 6.328 5.715 11.248 1.00 0.39 C ATOM 1155 C GLY A 76 5.706 7.088 11.072 1.00 0.38 C ATOM 1156 O GLY A 76 5.833 7.949 11.945 1.00 0.48 O ATOM 0 H GLY A 76 6.032 5.056 9.280 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.608 5.059 11.738 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.188 5.797 11.913 1.00 0.39 H new ATOM 1160 N ARG A 77 5.042 7.302 9.944 1.00 0.38 N ATOM 1161 CA ARG A 77 4.394 8.583 9.678 1.00 0.38 C ATOM 1162 C ARG A 77 2.919 8.518 10.027 1.00 0.37 C ATOM 1163 O ARG A 77 2.198 7.678 9.506 1.00 0.36 O ATOM 1164 CB ARG A 77 4.518 8.991 8.207 1.00 0.37 C ATOM 1165 CG ARG A 77 5.850 8.672 7.569 1.00 0.39 C ATOM 1166 CD ARG A 77 5.787 8.851 6.061 1.00 0.43 C ATOM 1167 NE ARG A 77 6.244 10.170 5.640 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.181 10.373 4.712 1.00 0.67 C ATOM 1169 NH1 ARG A 77 7.819 9.342 4.168 1.00 0.80 N ATOM 1170 NH2 ARG A 77 7.498 11.614 4.352 1.00 0.85 N ATOM 0 H ARG A 77 4.937 6.611 9.201 1.00 0.38 H new ATOM 0 HA ARG A 77 4.900 9.323 10.298 1.00 0.38 H new ATOM 0 HB2 ARG A 77 3.731 8.494 7.640 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.340 10.063 8.126 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.621 9.321 7.984 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.135 7.647 7.806 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.398 8.087 5.581 1.00 0.43 H new ATOM 0 HD3 ARG A 77 4.762 8.699 5.722 1.00 0.43 H new ATOM 0 HE ARG A 77 5.822 10.987 6.082 1.00 0.52 H new ATOM 0 HH11 ARG A 77 7.593 8.391 4.460 1.00 0.80 H new ATOM 0 HH12 ARG A 77 8.535 9.502 3.459 1.00 0.80 H new ATOM 0 HH21 ARG A 77 7.025 12.407 4.785 1.00 0.85 H new ATOM 0 HH22 ARG A 77 8.214 11.772 3.643 1.00 0.85 H new ATOM 1184 N LYS A 78 2.488 9.403 10.908 1.00 0.42 N ATOM 1185 CA LYS A 78 1.088 9.470 11.300 1.00 0.43 C ATOM 1186 C LYS A 78 0.432 10.618 10.537 1.00 0.39 C ATOM 1187 O LYS A 78 0.878 11.762 10.639 1.00 0.44 O ATOM 1188 CB LYS A 78 0.966 9.697 12.808 1.00 0.57 C ATOM 1189 CG LYS A 78 1.958 8.897 13.643 1.00 0.75 C ATOM 1190 CD LYS A 78 1.495 7.465 13.866 1.00 1.12 C ATOM 1191 CE LYS A 78 2.323 6.774 14.940 1.00 1.69 C ATOM 1192 NZ LYS A 78 1.741 5.466 15.353 1.00 1.76 N ATOM 0 H LYS A 78 3.088 10.088 11.368 1.00 0.42 H new ATOM 0 HA LYS A 78 0.590 8.530 11.062 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.105 10.758 13.017 1.00 0.57 H new ATOM 0 HB3 LYS A 78 -0.046 9.440 13.122 1.00 0.57 H new ATOM 0 HG2 LYS A 78 2.928 8.891 13.145 1.00 0.75 H new ATOM 0 HG3 LYS A 78 2.098 9.387 14.607 1.00 0.75 H new ATOM 0 HD2 LYS A 78 0.444 7.462 14.156 1.00 1.12 H new ATOM 0 HD3 LYS A 78 1.569 6.907 12.932 1.00 1.12 H new ATOM 0 HE2 LYS A 78 3.336 6.617 14.569 1.00 1.69 H new ATOM 0 HE3 LYS A 78 2.400 7.425 15.811 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 2.500 4.838 15.685 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 1.056 5.618 16.121 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 1.259 5.029 14.542 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.615 10.331 9.773 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.262 11.367 8.973 1.00 0.31 C ATOM 1208 C PHE A 79 -2.705 11.005 8.645 1.00 0.28 C ATOM 1209 O PHE A 79 -3.173 9.923 8.979 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.477 11.566 7.675 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.364 10.313 6.854 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.629 9.392 7.125 1.00 1.17 C ATOM 1213 CD2 PHE A 79 -1.256 10.048 5.825 1.00 1.07 C ATOM 1214 CE1 PHE A 79 0.733 8.231 6.394 1.00 1.16 C ATOM 1215 CE2 PHE A 79 -1.153 8.887 5.087 1.00 1.09 C ATOM 1216 CZ PHE A 79 -0.157 7.975 5.373 1.00 0.26 C ATOM 0 H PHE A 79 -1.031 9.403 9.690 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.272 12.289 9.555 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.962 12.340 7.080 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.523 11.927 7.915 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.333 9.586 7.921 1.00 1.17 H new ATOM 0 HD2 PHE A 79 -2.039 10.757 5.600 1.00 1.07 H new ATOM 0 HE1 PHE A 79 1.513 7.519 6.620 1.00 1.16 H new ATOM 0 HE2 PHE A 79 -1.851 8.692 4.286 1.00 1.09 H new ATOM 0 HZ PHE A 79 -0.075 7.064 4.799 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.397 11.915 7.975 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.785 11.697 7.587 1.00 0.33 C ATOM 1228 C LYS A 80 -4.969 12.060 6.118 1.00 0.27 C ATOM 1229 O LYS A 80 -4.308 12.971 5.615 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.746 12.524 8.456 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.783 12.094 9.920 1.00 0.65 C ATOM 1232 CD LYS A 80 -4.733 12.820 10.744 1.00 0.81 C ATOM 1233 CE LYS A 80 -4.598 12.238 12.146 1.00 1.64 C ATOM 1234 NZ LYS A 80 -3.376 11.399 12.280 1.00 2.55 N ATOM 0 H LYS A 80 -3.018 12.817 7.687 1.00 0.29 H new ATOM 0 HA LYS A 80 -5.020 10.643 7.737 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.456 13.573 8.403 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.751 12.450 8.040 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.772 12.293 10.333 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -5.620 11.018 9.988 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -3.771 12.763 10.235 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.995 13.876 10.814 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -4.564 13.048 12.874 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -5.478 11.638 12.377 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -3.121 11.316 13.285 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -3.560 10.453 11.890 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -2.592 11.842 11.759 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.850 11.340 5.431 1.00 0.24 N ATOM 1249 CA ALA A 81 -6.110 11.588 4.017 1.00 0.20 C ATOM 1250 C ALA A 81 -7.500 11.103 3.623 1.00 0.19 C ATOM 1251 O ALA A 81 -8.103 10.293 4.326 1.00 0.19 O ATOM 1252 CB ALA A 81 -5.055 10.900 3.161 1.00 0.21 C ATOM 0 H ALA A 81 -6.397 10.578 5.832 1.00 0.24 H new ATOM 0 HA ALA A 81 -6.063 12.664 3.847 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.259 11.092 2.108 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -4.069 11.289 3.416 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -5.080 9.826 3.346 1.00 0.21 H new ATOM 1258 N THR A 82 -7.999 11.596 2.503 1.00 0.19 N ATOM 1259 CA THR A 82 -9.308 11.198 2.011 1.00 0.19 C ATOM 1260 C THR A 82 -9.153 10.219 0.850 1.00 0.20 C ATOM 1261 O THR A 82 -8.368 10.452 -0.073 1.00 0.28 O ATOM 1262 CB THR A 82 -10.134 12.421 1.560 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.928 13.512 2.468 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.617 12.079 1.503 1.00 0.25 C ATOM 0 H THR A 82 -7.516 12.275 1.915 1.00 0.19 H new ATOM 0 HA THR A 82 -9.842 10.712 2.828 1.00 0.19 H new ATOM 0 HB THR A 82 -9.803 12.709 0.562 1.00 0.23 H new ATOM 0 HG1 THR A 82 -10.454 14.285 2.175 1.00 0.33 H new ATOM 0 HG21 THR A 82 -12.180 12.955 1.183 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.776 11.266 0.794 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.957 11.770 2.491 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.890 9.119 0.904 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.818 8.102 -0.133 1.00 0.15 C ATOM 1274 C VAL A 83 -11.143 8.009 -0.874 1.00 0.16 C ATOM 1275 O VAL A 83 -12.197 8.170 -0.272 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.474 6.719 0.461 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.251 5.697 -0.637 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.252 6.810 1.358 1.00 0.19 C ATOM 0 H VAL A 83 -10.546 8.908 1.657 1.00 0.15 H new ATOM 0 HA VAL A 83 -9.028 8.394 -0.825 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.321 6.391 1.063 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.010 4.732 -0.192 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.156 5.604 -1.237 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.426 6.020 -1.272 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -8.026 5.825 1.767 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.401 7.166 0.778 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.451 7.504 2.174 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.089 7.752 -2.173 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.292 7.640 -2.981 1.00 0.19 C ATOM 1290 C LYS A 84 -12.191 6.416 -3.882 1.00 0.19 C ATOM 1291 O LYS A 84 -11.197 5.692 -3.841 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.495 8.909 -3.811 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.308 9.244 -4.695 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.310 10.698 -5.127 1.00 0.42 C ATOM 1295 CE LYS A 84 -10.045 11.036 -5.900 1.00 0.49 C ATOM 1296 NZ LYS A 84 -9.988 12.466 -6.293 1.00 1.14 N ATOM 0 H LYS A 84 -10.220 7.617 -2.691 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.155 7.523 -2.326 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.381 8.789 -4.434 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.688 9.746 -3.140 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.384 9.027 -4.158 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.322 8.604 -5.577 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -12.184 10.896 -5.748 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.389 11.342 -4.251 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -9.174 10.794 -5.290 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.991 10.414 -6.793 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -9.108 12.647 -6.817 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -10.804 12.693 -6.897 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -10.012 13.061 -5.441 1.00 1.14 H new ATOM 1310 N MET A 85 -13.210 6.180 -4.692 1.00 0.21 N ATOM 1311 CA MET A 85 -13.217 5.035 -5.585 1.00 0.22 C ATOM 1312 C MET A 85 -13.596 5.453 -6.998 1.00 0.28 C ATOM 1313 O MET A 85 -14.552 6.206 -7.192 1.00 0.41 O ATOM 1314 CB MET A 85 -14.203 3.982 -5.083 1.00 0.23 C ATOM 1315 CG MET A 85 -13.558 2.664 -4.708 1.00 0.21 C ATOM 1316 SD MET A 85 -14.764 1.442 -4.163 1.00 0.26 S ATOM 1317 CE MET A 85 -13.706 0.323 -3.259 1.00 0.25 C ATOM 0 H MET A 85 -14.043 6.767 -4.749 1.00 0.21 H new ATOM 0 HA MET A 85 -12.212 4.613 -5.602 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.730 4.377 -4.214 1.00 0.23 H new ATOM 0 HB3 MET A 85 -14.951 3.802 -5.855 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.011 2.273 -5.566 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.830 2.831 -3.914 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.308 -0.476 -2.825 1.00 0.25 H new ATOM 0 HE2 MET A 85 -12.967 -0.106 -3.936 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.196 0.867 -2.463 1.00 0.25 H new ATOM 1327 N GLU A 86 -12.849 4.968 -7.980 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.123 5.287 -9.372 1.00 0.32 C ATOM 1329 C GLU A 86 -13.208 4.012 -10.206 1.00 0.29 C ATOM 1330 O GLU A 86 -12.210 3.322 -10.409 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.055 6.231 -9.940 1.00 0.48 C ATOM 1332 CG GLU A 86 -10.620 5.768 -9.719 1.00 1.22 C ATOM 1333 CD GLU A 86 -9.636 6.465 -10.636 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -9.365 7.669 -10.426 1.00 2.67 O ATOM 1335 OE2 GLU A 86 -9.128 5.813 -11.572 1.00 2.46 O ATOM 0 H GLU A 86 -12.049 4.352 -7.837 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.085 5.797 -9.419 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -12.225 6.349 -11.010 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -12.180 7.215 -9.487 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -10.338 5.952 -8.682 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -10.561 4.691 -9.879 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.413 3.693 -10.661 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.624 2.509 -11.474 1.00 0.46 C ATOM 1344 C GLY A 87 -14.272 1.221 -10.753 1.00 0.38 C ATOM 1345 O GLY A 87 -13.832 0.252 -11.378 1.00 0.36 O ATOM 0 H GLY A 87 -15.256 4.238 -10.480 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -15.668 2.471 -11.785 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.024 2.586 -12.381 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.461 1.199 -9.442 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.149 0.007 -8.677 1.00 0.33 C ATOM 1351 C GLY A 88 -12.682 -0.073 -8.305 1.00 0.27 C ATOM 1352 O GLY A 88 -12.162 -1.147 -8.027 1.00 0.32 O ATOM 0 H GLY A 88 -14.823 1.980 -8.895 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.752 -0.007 -7.769 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.423 -0.875 -9.256 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.015 1.071 -8.327 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.605 1.156 -7.977 1.00 0.19 C ATOM 1358 C LYS A 89 -10.429 2.137 -6.831 1.00 0.17 C ATOM 1359 O LYS A 89 -10.923 3.263 -6.898 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.774 1.625 -9.168 1.00 0.24 C ATOM 1361 CG LYS A 89 -9.940 0.777 -10.418 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.047 1.280 -11.545 1.00 0.52 C ATOM 1363 CE LYS A 89 -9.580 2.570 -12.154 1.00 1.06 C ATOM 1364 NZ LYS A 89 -8.491 3.456 -12.656 1.00 1.76 N ATOM 0 H LYS A 89 -12.434 1.964 -8.587 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.263 0.164 -7.682 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.045 2.654 -9.403 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.722 1.629 -8.883 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -9.696 -0.261 -10.192 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -10.982 0.797 -10.739 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -8.039 1.447 -11.164 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -8.973 0.516 -12.319 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -10.255 2.329 -12.975 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -10.165 3.106 -11.407 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -8.569 4.391 -12.207 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -7.568 3.037 -12.425 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -8.576 3.560 -13.687 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.739 1.719 -5.782 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.517 2.591 -4.639 1.00 0.16 C ATOM 1380 C ILE A 90 -8.366 3.549 -4.909 1.00 0.17 C ATOM 1381 O ILE A 90 -7.237 3.117 -5.133 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.212 1.806 -3.348 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.122 0.575 -3.236 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.379 2.716 -2.143 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.291 0.052 -1.822 1.00 0.20 C ATOM 0 H ILE A 90 -9.326 0.790 -5.698 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.444 3.145 -4.494 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.181 1.455 -3.381 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.104 0.825 -3.638 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -9.715 -0.221 -3.860 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.163 2.157 -1.232 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.691 3.558 -2.225 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.403 3.087 -2.106 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -10.948 -0.818 -1.832 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.318 -0.233 -1.421 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.728 0.830 -1.196 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.664 4.839 -4.903 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.661 5.856 -5.144 1.00 0.17 C ATOM 1399 C VAL A 91 -7.596 6.844 -3.978 1.00 0.16 C ATOM 1400 O VAL A 91 -8.620 7.346 -3.505 1.00 0.16 O ATOM 1401 CB VAL A 91 -7.940 6.597 -6.471 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.348 7.165 -6.504 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -6.910 7.691 -6.718 1.00 0.25 C ATOM 0 H VAL A 91 -9.601 5.205 -4.732 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.693 5.362 -5.225 1.00 0.17 H new ATOM 0 HB VAL A 91 -7.856 5.866 -7.275 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.511 7.680 -7.451 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.070 6.355 -6.403 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.476 7.869 -5.682 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.132 8.194 -7.659 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -6.944 8.414 -5.903 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -5.915 7.249 -6.770 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.387 7.093 -3.500 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.173 8.011 -2.393 1.00 0.19 C ATOM 1415 C ALA A 92 -5.453 9.270 -2.864 1.00 0.20 C ATOM 1416 O ALA A 92 -4.535 9.197 -3.683 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.387 7.322 -1.291 1.00 0.22 C ATOM 0 H ALA A 92 -5.534 6.669 -3.864 1.00 0.18 H new ATOM 0 HA ALA A 92 -7.143 8.310 -1.996 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.231 8.017 -0.466 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.943 6.455 -0.935 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.421 6.999 -1.680 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.865 10.417 -2.335 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.268 11.696 -2.720 1.00 0.26 C ATOM 1425 C ASP A 93 -4.092 12.059 -1.826 1.00 0.22 C ATOM 1426 O ASP A 93 -4.233 12.173 -0.605 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.310 12.817 -2.672 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.679 14.200 -2.732 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -5.164 14.578 -3.804 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -5.700 14.917 -1.708 1.00 1.19 O ATOM 0 H ASP A 93 -6.608 10.490 -1.640 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.903 11.584 -3.741 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -7.003 12.701 -3.505 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.894 12.727 -1.756 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.932 12.241 -2.448 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.714 12.603 -1.736 1.00 0.21 C ATOM 1437 C PHE A 94 -0.850 13.526 -2.586 1.00 0.24 C ATOM 1438 O PHE A 94 -0.922 13.495 -3.815 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.905 11.358 -1.381 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.507 10.542 -0.283 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.346 10.913 1.041 1.00 1.14 C ATOM 1442 CD2 PHE A 94 -2.246 9.417 -0.579 1.00 1.26 C ATOM 1443 CE1 PHE A 94 -1.912 10.165 2.052 1.00 1.14 C ATOM 1444 CE2 PHE A 94 -2.816 8.667 0.429 1.00 1.27 C ATOM 1445 CZ PHE A 94 -2.649 9.040 1.744 1.00 0.25 C ATOM 0 H PHE A 94 -2.811 12.142 -3.456 1.00 0.22 H new ATOM 0 HA PHE A 94 -2.007 13.118 -0.821 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.804 10.736 -2.270 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.100 11.660 -1.087 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.773 11.795 1.284 1.00 1.14 H new ATOM 0 HD2 PHE A 94 -2.380 9.120 -1.609 1.00 1.26 H new ATOM 0 HE1 PHE A 94 -1.779 10.459 3.083 1.00 1.14 H new ATOM 0 HE2 PHE A 94 -3.393 7.787 0.187 1.00 1.27 H new ATOM 0 HZ PHE A 94 -3.094 8.453 2.533 1.00 0.25 H new ATOM 1455 N PRO A 95 -0.038 14.377 -1.940 1.00 0.26 N ATOM 1456 CA PRO A 95 0.861 15.290 -2.644 1.00 0.29 C ATOM 1457 C PRO A 95 2.033 14.539 -3.272 1.00 0.26 C ATOM 1458 O PRO A 95 2.857 13.959 -2.564 1.00 0.27 O ATOM 1459 CB PRO A 95 1.351 16.227 -1.541 1.00 0.36 C ATOM 1460 CG PRO A 95 1.210 15.458 -0.273 1.00 0.32 C ATOM 1461 CD PRO A 95 0.045 14.531 -0.473 1.00 0.28 C ATOM 0 HA PRO A 95 0.370 15.812 -3.466 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.387 16.522 -1.708 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.760 17.142 -1.513 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.119 14.899 -0.054 1.00 0.32 H new ATOM 0 HG3 PRO A 95 1.036 16.126 0.570 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.207 13.573 0.021 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.874 14.950 -0.062 1.00 0.28 H new ATOM 1469 N ASN A 96 2.079 14.540 -4.603 1.00 0.27 N ATOM 1470 CA ASN A 96 3.122 13.860 -5.363 1.00 0.29 C ATOM 1471 C ASN A 96 3.066 12.350 -5.145 1.00 0.28 C ATOM 1472 O ASN A 96 4.034 11.637 -5.405 1.00 0.37 O ATOM 1473 CB ASN A 96 4.505 14.399 -5.006 1.00 0.35 C ATOM 1474 CG ASN A 96 4.939 15.541 -5.902 1.00 0.77 C ATOM 1475 OD1 ASN A 96 4.132 16.403 -6.272 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.208 15.554 -6.274 1.00 1.50 N ATOM 0 H ASN A 96 1.390 15.015 -5.186 1.00 0.27 H new ATOM 0 HA ASN A 96 2.941 14.060 -6.419 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.502 14.737 -3.970 1.00 0.35 H new ATOM 0 HB3 ASN A 96 5.234 13.591 -5.076 1.00 0.35 H new ATOM 0 HD21 ASN A 96 6.552 16.293 -6.887 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.843 14.825 -5.948 1.00 1.50 H new ATOM 1483 N TYR A 97 1.922 11.876 -4.673 1.00 0.23 N ATOM 1484 CA TYR A 97 1.716 10.458 -4.419 1.00 0.21 C ATOM 1485 C TYR A 97 0.314 10.068 -4.863 1.00 0.21 C ATOM 1486 O TYR A 97 -0.682 10.649 -4.431 1.00 0.24 O ATOM 1487 CB TYR A 97 1.930 10.138 -2.936 1.00 0.22 C ATOM 1488 CG TYR A 97 2.188 8.672 -2.645 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.185 7.720 -2.793 1.00 1.28 C ATOM 1490 CD2 TYR A 97 3.438 8.241 -2.214 1.00 1.14 C ATOM 1491 CE1 TYR A 97 1.423 6.386 -2.522 1.00 1.31 C ATOM 1492 CE2 TYR A 97 3.681 6.910 -1.939 1.00 1.14 C ATOM 1493 CZ TYR A 97 2.672 5.984 -2.095 1.00 0.32 C ATOM 1494 OH TYR A 97 2.909 4.658 -1.814 1.00 0.38 O ATOM 0 H TYR A 97 1.114 12.460 -4.456 1.00 0.23 H new ATOM 0 HA TYR A 97 2.443 9.880 -4.989 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.773 10.723 -2.568 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.051 10.458 -2.377 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.205 8.028 -3.125 1.00 1.28 H new ATOM 0 HD2 TYR A 97 4.234 8.961 -2.092 1.00 1.14 H new ATOM 0 HE1 TYR A 97 0.633 5.660 -2.644 1.00 1.31 H new ATOM 0 HE2 TYR A 97 4.658 6.596 -1.603 1.00 1.14 H new ATOM 0 HH TYR A 97 3.839 4.546 -1.527 1.00 0.38 H new ATOM 1504 N HIS A 98 0.252 9.096 -5.745 1.00 0.21 N ATOM 1505 CA HIS A 98 -1.010 8.614 -6.273 1.00 0.22 C ATOM 1506 C HIS A 98 -1.143 7.133 -5.960 1.00 0.21 C ATOM 1507 O HIS A 98 -0.499 6.300 -6.598 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.070 8.863 -7.785 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.433 8.704 -8.382 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.447 9.620 -8.204 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -2.939 7.733 -9.176 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.518 9.216 -8.864 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.235 8.076 -9.463 1.00 1.09 N ATOM 0 H HIS A 98 1.072 8.616 -6.118 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.839 9.149 -5.809 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.712 9.872 -7.990 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.386 8.175 -8.282 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -2.419 6.851 -9.520 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.466 9.733 -8.906 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -4.876 7.537 -10.045 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.954 6.816 -4.965 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.151 5.436 -4.543 1.00 0.22 C ATOM 1524 C HIS A 99 -3.456 4.877 -5.096 1.00 0.21 C ATOM 1525 O HIS A 99 -4.524 5.446 -4.874 1.00 0.23 O ATOM 1526 CB HIS A 99 -2.161 5.366 -3.016 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.769 4.034 -2.469 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.497 3.798 -2.016 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.513 2.915 -2.304 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.492 2.552 -1.583 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.691 1.978 -1.738 1.00 0.49 N ATOM 0 H HIS A 99 -2.491 7.499 -4.430 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.331 4.833 -4.933 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.483 6.123 -2.623 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -3.160 5.616 -2.657 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -3.552 2.787 -2.568 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.369 2.058 -1.158 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -1.944 1.023 -1.483 1.00 0.49 H new ATOM 1539 N THR A 100 -3.358 3.777 -5.836 1.00 0.22 N ATOM 1540 CA THR A 100 -4.526 3.126 -6.412 1.00 0.22 C ATOM 1541 C THR A 100 -4.433 1.610 -6.268 1.00 0.23 C ATOM 1542 O THR A 100 -3.337 1.049 -6.284 1.00 0.31 O ATOM 1543 CB THR A 100 -4.678 3.465 -7.906 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.459 3.157 -8.597 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.008 4.933 -8.094 1.00 0.24 C ATOM 0 H THR A 100 -2.474 3.316 -6.051 1.00 0.22 H new ATOM 0 HA THR A 100 -5.394 3.497 -5.867 1.00 0.22 H new ATOM 0 HB THR A 100 -5.495 2.869 -8.314 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.559 3.372 -9.548 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.111 5.150 -9.157 1.00 0.24 H new ATOM 0 HG22 THR A 100 -5.944 5.164 -7.585 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.207 5.542 -7.675 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.578 0.963 -6.129 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.633 -0.484 -6.006 1.00 0.23 C ATOM 1555 C ALA A 101 -6.762 -1.039 -6.862 1.00 0.22 C ATOM 1556 O ALA A 101 -7.861 -0.475 -6.880 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.825 -0.880 -4.549 1.00 0.26 C ATOM 0 H ALA A 101 -6.489 1.421 -6.098 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.691 -0.905 -6.358 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -5.865 -1.966 -4.469 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -4.991 -0.503 -3.957 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.757 -0.455 -4.176 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.498 -2.126 -7.581 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.513 -2.740 -8.432 1.00 0.23 C ATOM 1565 C GLU A 102 -7.295 -4.243 -8.544 1.00 0.24 C ATOM 1566 O GLU A 102 -6.276 -4.774 -8.096 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.503 -2.132 -9.836 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.242 -2.443 -10.625 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.141 -1.652 -11.915 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -6.687 -2.112 -12.941 1.00 1.18 O ATOM 1571 OE2 GLU A 102 -5.510 -0.579 -11.909 1.00 1.38 O ATOM 0 H GLU A 102 -5.594 -2.598 -7.592 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.479 -2.547 -7.965 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.367 -2.500 -10.389 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -7.614 -1.051 -9.755 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.371 -2.231 -10.006 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.217 -3.508 -10.855 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.253 -4.913 -9.165 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.185 -6.349 -9.350 1.00 0.29 C ATOM 1580 C ILE A 103 -8.045 -6.687 -10.826 1.00 0.31 C ATOM 1581 O ILE A 103 -8.851 -6.258 -11.650 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.444 -7.056 -8.801 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.720 -6.655 -7.342 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.293 -8.562 -8.920 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.699 -7.177 -6.352 1.00 0.37 C ATOM 0 H ILE A 103 -9.091 -4.479 -9.551 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.313 -6.701 -8.798 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.298 -6.738 -9.399 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.751 -5.567 -7.275 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.706 -7.021 -7.057 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -10.187 -9.049 -8.530 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -9.160 -8.833 -9.967 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.424 -8.887 -8.348 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -8.966 -6.850 -5.347 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.682 -8.266 -6.387 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.713 -6.791 -6.609 1.00 0.37 H new ATOM 1597 N SER A 104 -7.006 -7.429 -11.159 1.00 0.34 N ATOM 1598 CA SER A 104 -6.780 -7.845 -12.528 1.00 0.38 C ATOM 1599 C SER A 104 -7.369 -9.243 -12.722 1.00 0.48 C ATOM 1600 O SER A 104 -8.569 -9.440 -12.512 1.00 0.88 O ATOM 1601 CB SER A 104 -5.282 -7.819 -12.836 1.00 0.55 C ATOM 1602 OG SER A 104 -5.036 -7.969 -14.222 1.00 1.37 O ATOM 0 H SER A 104 -6.303 -7.757 -10.496 1.00 0.34 H new ATOM 0 HA SER A 104 -7.271 -7.161 -13.220 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.854 -6.879 -12.489 1.00 0.55 H new ATOM 0 HB3 SER A 104 -4.783 -8.618 -12.288 1.00 0.55 H new ATOM 0 HG SER A 104 -4.070 -7.947 -14.387 1.00 1.37 H new ATOM 1608 N GLY A 105 -6.541 -10.215 -13.091 1.00 0.53 N ATOM 1609 CA GLY A 105 -7.027 -11.572 -13.257 1.00 0.64 C ATOM 1610 C GLY A 105 -7.146 -12.275 -11.917 1.00 0.63 C ATOM 1611 O GLY A 105 -6.473 -13.273 -11.665 1.00 0.96 O ATOM 0 H GLY A 105 -5.546 -10.088 -13.277 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.999 -11.556 -13.751 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -6.349 -12.128 -13.905 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.999 -11.735 -11.050 1.00 0.49 N ATOM 1616 CA GLY A 106 -8.184 -12.305 -9.730 1.00 0.50 C ATOM 1617 C GLY A 106 -7.021 -11.988 -8.812 1.00 0.44 C ATOM 1618 O GLY A 106 -6.801 -12.676 -7.812 1.00 0.48 O ATOM 0 H GLY A 106 -8.567 -10.909 -11.241 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -9.106 -11.921 -9.294 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -8.297 -13.386 -9.813 1.00 0.50 H new ATOM 1622 N LYS A 107 -6.285 -10.937 -9.149 1.00 0.38 N ATOM 1623 CA LYS A 107 -5.123 -10.527 -8.372 1.00 0.35 C ATOM 1624 C LYS A 107 -5.168 -9.040 -8.068 1.00 0.32 C ATOM 1625 O LYS A 107 -5.651 -8.242 -8.872 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.835 -10.849 -9.126 1.00 0.34 C ATOM 1627 CG LYS A 107 -3.313 -12.251 -8.864 1.00 0.38 C ATOM 1628 CD LYS A 107 -2.891 -12.937 -10.153 1.00 0.66 C ATOM 1629 CE LYS A 107 -2.293 -14.309 -9.886 1.00 0.75 C ATOM 1630 NZ LYS A 107 -0.937 -14.437 -10.473 1.00 1.22 N ATOM 0 H LYS A 107 -6.474 -10.349 -9.961 1.00 0.38 H new ATOM 0 HA LYS A 107 -5.141 -11.080 -7.433 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -4.010 -10.729 -10.195 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -3.069 -10.126 -8.845 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.465 -12.203 -8.181 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -4.085 -12.842 -8.372 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -3.753 -13.037 -10.812 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -2.162 -12.317 -10.674 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -2.243 -14.482 -8.811 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -2.944 -15.078 -10.302 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -0.417 -15.193 -9.984 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -1.017 -14.669 -11.484 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 -0.425 -13.538 -10.364 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.650 -8.684 -6.907 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.608 -7.305 -6.467 1.00 0.28 C ATOM 1646 C LEU A 108 -3.325 -6.657 -6.949 1.00 0.27 C ATOM 1647 O LEU A 108 -2.231 -7.119 -6.640 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.682 -7.251 -4.934 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.808 -5.859 -4.281 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.466 -5.141 -4.216 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -5.843 -5.006 -4.997 1.00 0.76 C ATOM 0 H LEU A 108 -4.247 -9.345 -6.243 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.458 -6.764 -6.883 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.534 -7.851 -4.616 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.788 -7.731 -4.536 1.00 0.29 H new ATOM 0 HG LEU A 108 -5.147 -6.015 -3.257 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -3.598 -4.165 -3.750 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.765 -5.733 -3.627 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -3.074 -5.011 -5.225 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -5.909 -4.031 -4.513 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -5.549 -4.875 -6.039 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.814 -5.499 -4.953 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.464 -5.610 -7.725 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.318 -4.884 -8.214 1.00 0.29 C ATOM 1665 C VAL A 109 -2.390 -3.457 -7.697 1.00 0.29 C ATOM 1666 O VAL A 109 -3.311 -2.703 -8.015 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.200 -4.937 -9.756 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.544 -4.689 -10.421 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -1.147 -3.959 -10.257 1.00 0.32 C ATOM 0 H VAL A 109 -4.364 -5.240 -8.032 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.412 -5.359 -7.839 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.879 -5.942 -10.031 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.428 -4.733 -11.504 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.254 -5.451 -10.101 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.915 -3.705 -10.135 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -1.085 -4.017 -11.344 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.422 -2.946 -9.963 1.00 0.32 H new ATOM 0 HG23 VAL A 109 -0.179 -4.213 -9.824 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.446 -3.127 -6.841 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.380 -1.813 -6.232 1.00 0.30 C ATOM 1681 C GLU A 110 -0.411 -0.924 -6.998 1.00 0.28 C ATOM 1682 O GLU A 110 0.669 -1.366 -7.400 1.00 0.34 O ATOM 1683 CB GLU A 110 -0.948 -1.959 -4.774 1.00 0.34 C ATOM 1684 CG GLU A 110 -1.262 -0.759 -3.900 1.00 0.71 C ATOM 1685 CD GLU A 110 -0.956 -1.027 -2.439 1.00 1.02 C ATOM 1686 OE1 GLU A 110 0.108 -1.607 -2.148 1.00 1.69 O ATOM 1687 OE2 GLU A 110 -1.779 -0.659 -1.579 1.00 1.45 O ATOM 0 H GLU A 110 -0.703 -3.761 -6.547 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.363 -1.343 -6.267 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -1.435 -2.838 -4.351 1.00 0.34 H new ATOM 0 HB3 GLU A 110 0.126 -2.143 -4.743 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -0.683 0.099 -4.241 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -2.314 -0.497 -4.008 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.810 0.319 -7.210 1.00 0.26 N ATOM 1695 CA ILE A 111 0.013 1.273 -7.936 1.00 0.24 C ATOM 1696 C ILE A 111 0.246 2.535 -7.101 1.00 0.25 C ATOM 1697 O ILE A 111 -0.700 3.175 -6.644 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.620 1.666 -9.298 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.772 0.446 -10.215 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.218 2.730 -9.990 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -2.114 -0.243 -10.103 1.00 0.37 C ATOM 0 H ILE A 111 -1.703 0.693 -6.888 1.00 0.26 H new ATOM 0 HA ILE A 111 0.967 0.784 -8.130 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.612 2.069 -9.095 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.621 0.759 -11.248 1.00 0.29 H new ATOM 0 HG13 ILE A 111 0.014 -0.272 -9.981 1.00 0.29 H new ATOM 0 HG21 ILE A 111 -0.242 2.992 -10.943 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.275 3.616 -9.358 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.222 2.345 -10.166 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -2.143 -1.095 -10.782 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.261 -0.589 -9.080 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.906 0.458 -10.366 1.00 0.37 H new ATOM 1713 N SER A 112 1.513 2.876 -6.910 1.00 0.23 N ATOM 1714 CA SER A 112 1.905 4.052 -6.146 1.00 0.24 C ATOM 1715 C SER A 112 2.797 4.945 -6.992 1.00 0.22 C ATOM 1716 O SER A 112 3.899 4.555 -7.371 1.00 0.25 O ATOM 1717 CB SER A 112 2.648 3.631 -4.879 1.00 0.28 C ATOM 1718 OG SER A 112 1.815 2.884 -4.013 1.00 0.37 O ATOM 0 H SER A 112 2.300 2.344 -7.281 1.00 0.23 H new ATOM 0 HA SER A 112 1.008 4.604 -5.865 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.521 3.036 -5.149 1.00 0.28 H new ATOM 0 HB3 SER A 112 3.014 4.517 -4.359 1.00 0.28 H new ATOM 0 HG SER A 112 1.231 3.493 -3.515 1.00 0.37 H new ATOM 1724 N THR A 113 2.308 6.125 -7.309 1.00 0.22 N ATOM 1725 CA THR A 113 3.076 7.062 -8.102 1.00 0.22 C ATOM 1726 C THR A 113 3.657 8.150 -7.217 1.00 0.23 C ATOM 1727 O THR A 113 2.957 8.695 -6.369 1.00 0.26 O ATOM 1728 CB THR A 113 2.204 7.708 -9.184 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.107 6.840 -9.500 1.00 0.27 O ATOM 1730 CG2 THR A 113 3.025 7.977 -10.430 1.00 0.27 C ATOM 0 H THR A 113 1.385 6.458 -7.031 1.00 0.22 H new ATOM 0 HA THR A 113 3.884 6.508 -8.581 1.00 0.22 H new ATOM 0 HB THR A 113 1.818 8.656 -8.809 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.550 7.255 -10.191 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.393 8.436 -11.190 1.00 0.27 H new ATOM 0 HG22 THR A 113 3.846 8.651 -10.186 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.427 7.038 -10.811 1.00 0.27 H new ATOM 1738 N SER A 114 4.934 8.442 -7.402 1.00 0.25 N ATOM 1739 CA SER A 114 5.598 9.467 -6.621 1.00 0.30 C ATOM 1740 C SER A 114 6.569 10.251 -7.489 1.00 0.29 C ATOM 1741 O SER A 114 7.576 9.715 -7.965 1.00 0.30 O ATOM 1742 CB SER A 114 6.324 8.851 -5.426 1.00 0.38 C ATOM 1743 OG SER A 114 5.885 9.429 -4.208 1.00 1.43 O ATOM 0 H SER A 114 5.531 7.981 -8.089 1.00 0.25 H new ATOM 0 HA SER A 114 4.841 10.154 -6.243 1.00 0.30 H new ATOM 0 HB2 SER A 114 6.149 7.775 -5.405 1.00 0.38 H new ATOM 0 HB3 SER A 114 7.399 8.997 -5.535 1.00 0.38 H new ATOM 0 HG SER A 114 5.162 8.886 -3.830 1.00 1.43 H new ATOM 1749 N SER A 115 6.229 11.515 -7.713 1.00 0.37 N ATOM 1750 CA SER A 115 7.032 12.420 -8.522 1.00 0.47 C ATOM 1751 C SER A 115 7.257 11.861 -9.928 1.00 0.47 C ATOM 1752 O SER A 115 8.279 12.129 -10.559 1.00 0.57 O ATOM 1753 CB SER A 115 8.369 12.710 -7.829 1.00 0.54 C ATOM 1754 OG SER A 115 8.169 13.375 -6.591 1.00 0.63 O ATOM 0 H SER A 115 5.383 11.942 -7.335 1.00 0.37 H new ATOM 0 HA SER A 115 6.484 13.356 -8.626 1.00 0.47 H new ATOM 0 HB2 SER A 115 8.905 11.776 -7.661 1.00 0.54 H new ATOM 0 HB3 SER A 115 8.993 13.324 -8.478 1.00 0.54 H new ATOM 0 HG SER A 115 9.036 13.547 -6.168 1.00 0.63 H new ATOM 1760 N GLY A 116 6.294 11.094 -10.418 1.00 0.42 N ATOM 1761 CA GLY A 116 6.411 10.525 -11.742 1.00 0.46 C ATOM 1762 C GLY A 116 6.707 9.040 -11.728 1.00 0.40 C ATOM 1763 O GLY A 116 6.222 8.304 -12.586 1.00 0.46 O ATOM 0 H GLY A 116 5.435 10.856 -9.922 1.00 0.42 H new ATOM 0 HA2 GLY A 116 5.484 10.699 -12.289 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.203 11.042 -12.284 1.00 0.46 H new ATOM 1767 N VAL A 117 7.491 8.589 -10.757 1.00 0.33 N ATOM 1768 CA VAL A 117 7.842 7.178 -10.668 1.00 0.29 C ATOM 1769 C VAL A 117 6.633 6.339 -10.269 1.00 0.28 C ATOM 1770 O VAL A 117 5.976 6.616 -9.266 1.00 0.29 O ATOM 1771 CB VAL A 117 8.989 6.935 -9.668 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.273 5.448 -9.523 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.241 7.675 -10.104 1.00 0.53 C ATOM 0 H VAL A 117 7.893 9.175 -10.025 1.00 0.33 H new ATOM 0 HA VAL A 117 8.180 6.874 -11.659 1.00 0.29 H new ATOM 0 HB VAL A 117 8.680 7.320 -8.696 1.00 0.30 H new ATOM 0 HG11 VAL A 117 10.086 5.300 -8.812 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.379 4.940 -9.162 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.558 5.036 -10.491 1.00 0.52 H new ATOM 0 HG21 VAL A 117 11.040 7.492 -9.386 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.549 7.321 -11.088 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.034 8.744 -10.151 1.00 0.53 H new ATOM 1783 N VAL A 118 6.340 5.326 -11.070 1.00 0.27 N ATOM 1784 CA VAL A 118 5.213 4.449 -10.809 1.00 0.27 C ATOM 1785 C VAL A 118 5.674 3.121 -10.233 1.00 0.25 C ATOM 1786 O VAL A 118 6.406 2.374 -10.880 1.00 0.29 O ATOM 1787 CB VAL A 118 4.403 4.177 -12.090 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.127 3.420 -11.772 1.00 0.97 C ATOM 1789 CG2 VAL A 118 4.081 5.470 -12.804 1.00 0.86 C ATOM 0 H VAL A 118 6.871 5.092 -11.909 1.00 0.27 H new ATOM 0 HA VAL A 118 4.579 4.960 -10.085 1.00 0.27 H new ATOM 0 HB VAL A 118 5.014 3.560 -12.749 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.572 3.240 -12.693 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.376 2.467 -11.306 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.515 4.009 -11.089 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.508 5.255 -13.706 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.495 6.112 -12.147 1.00 0.86 H new ATOM 0 HG23 VAL A 118 5.007 5.977 -13.075 1.00 0.86 H new ATOM 1799 N TYR A 119 5.251 2.848 -9.014 1.00 0.22 N ATOM 1800 CA TYR A 119 5.575 1.594 -8.345 1.00 0.21 C ATOM 1801 C TYR A 119 4.353 0.693 -8.358 1.00 0.22 C ATOM 1802 O TYR A 119 3.272 1.096 -7.930 1.00 0.29 O ATOM 1803 CB TYR A 119 6.037 1.840 -6.902 1.00 0.22 C ATOM 1804 CG TYR A 119 6.062 0.591 -6.041 1.00 0.21 C ATOM 1805 CD1 TYR A 119 6.845 -0.503 -6.387 1.00 1.17 C ATOM 1806 CD2 TYR A 119 5.295 0.506 -4.887 1.00 1.21 C ATOM 1807 CE1 TYR A 119 6.857 -1.646 -5.610 1.00 1.20 C ATOM 1808 CE2 TYR A 119 5.305 -0.631 -4.101 1.00 1.22 C ATOM 1809 CZ TYR A 119 6.087 -1.707 -4.467 1.00 0.34 C ATOM 1810 OH TYR A 119 6.099 -2.850 -3.688 1.00 0.43 O ATOM 0 H TYR A 119 4.676 3.482 -8.459 1.00 0.22 H new ATOM 0 HA TYR A 119 6.394 1.112 -8.878 1.00 0.21 H new ATOM 0 HB2 TYR A 119 7.036 2.276 -6.920 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.377 2.574 -6.440 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.454 -0.460 -7.278 1.00 1.17 H new ATOM 0 HD2 TYR A 119 4.679 1.344 -4.598 1.00 1.21 H new ATOM 0 HE1 TYR A 119 7.468 -2.489 -5.897 1.00 1.20 H new ATOM 0 HE2 TYR A 119 4.704 -0.677 -3.205 1.00 1.22 H new ATOM 0 HH TYR A 119 6.962 -2.925 -3.230 1.00 0.43 H new ATOM 1820 N LYS A 120 4.513 -0.510 -8.870 1.00 0.21 N ATOM 1821 CA LYS A 120 3.418 -1.446 -8.946 1.00 0.23 C ATOM 1822 C LYS A 120 3.768 -2.739 -8.244 1.00 0.24 C ATOM 1823 O LYS A 120 4.925 -3.152 -8.215 1.00 0.29 O ATOM 1824 CB LYS A 120 3.084 -1.701 -10.403 1.00 0.28 C ATOM 1825 CG LYS A 120 2.708 -0.425 -11.131 1.00 0.31 C ATOM 1826 CD LYS A 120 3.161 -0.445 -12.573 1.00 0.46 C ATOM 1827 CE LYS A 120 2.239 -1.284 -13.428 1.00 0.87 C ATOM 1828 NZ LYS A 120 2.867 -1.621 -14.731 1.00 1.17 N ATOM 0 H LYS A 120 5.396 -0.861 -9.240 1.00 0.21 H new ATOM 0 HA LYS A 120 2.548 -1.023 -8.444 1.00 0.23 H new ATOM 0 HB2 LYS A 120 3.940 -2.161 -10.896 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.260 -2.411 -10.467 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.627 -0.290 -11.092 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.155 0.429 -10.622 1.00 0.31 H new ATOM 0 HD2 LYS A 120 3.193 0.573 -12.960 1.00 0.46 H new ATOM 0 HD3 LYS A 120 4.175 -0.840 -12.632 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.983 -2.201 -12.898 1.00 0.87 H new ATOM 0 HE3 LYS A 120 1.308 -0.744 -13.600 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 2.410 -2.466 -15.129 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 2.752 -0.823 -15.388 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 3.880 -1.810 -14.590 1.00 1.17 H new ATOM 1842 N ARG A 121 2.766 -3.365 -7.662 1.00 0.25 N ATOM 1843 CA ARG A 121 2.963 -4.618 -6.956 1.00 0.28 C ATOM 1844 C ARG A 121 1.756 -5.531 -7.120 1.00 0.28 C ATOM 1845 O ARG A 121 0.616 -5.109 -6.933 1.00 0.34 O ATOM 1846 CB ARG A 121 3.225 -4.357 -5.473 1.00 0.36 C ATOM 1847 CG ARG A 121 2.447 -3.174 -4.929 1.00 0.59 C ATOM 1848 CD ARG A 121 2.147 -3.329 -3.451 1.00 0.84 C ATOM 1849 NE ARG A 121 3.351 -3.254 -2.628 1.00 1.20 N ATOM 1850 CZ ARG A 121 3.382 -2.734 -1.400 1.00 1.59 C ATOM 1851 NH1 ARG A 121 2.302 -2.155 -0.882 1.00 1.88 N ATOM 1852 NH2 ARG A 121 4.506 -2.769 -0.697 1.00 2.48 N ATOM 0 H ARG A 121 1.804 -3.027 -7.663 1.00 0.25 H new ATOM 0 HA ARG A 121 3.831 -5.116 -7.387 1.00 0.28 H new ATOM 0 HB2 ARG A 121 2.965 -5.248 -4.902 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.291 -4.183 -5.324 1.00 0.36 H new ATOM 0 HG2 ARG A 121 3.017 -2.259 -5.090 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.513 -3.069 -5.480 1.00 0.59 H new ATOM 0 HD2 ARG A 121 1.449 -2.551 -3.141 1.00 0.84 H new ATOM 0 HD3 ARG A 121 1.653 -4.286 -3.282 1.00 0.84 H new ATOM 0 HE ARG A 121 4.220 -3.621 -3.015 1.00 1.20 H new ATOM 0 HH11 ARG A 121 1.440 -2.106 -1.425 1.00 1.88 H new ATOM 0 HH12 ARG A 121 2.336 -1.760 0.058 1.00 1.88 H new ATOM 0 HH21 ARG A 121 5.344 -3.193 -1.096 1.00 2.48 H new ATOM 0 HH22 ARG A 121 4.533 -2.372 0.242 1.00 2.48 H new ATOM 1866 N THR A 122 2.015 -6.772 -7.483 1.00 0.27 N ATOM 1867 CA THR A 122 0.968 -7.755 -7.657 1.00 0.27 C ATOM 1868 C THR A 122 0.887 -8.635 -6.424 1.00 0.25 C ATOM 1869 O THR A 122 1.899 -9.186 -5.980 1.00 0.29 O ATOM 1870 CB THR A 122 1.223 -8.630 -8.894 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.473 -7.792 -10.027 1.00 0.43 O ATOM 1872 CG2 THR A 122 0.029 -9.532 -9.170 1.00 0.34 C ATOM 0 H THR A 122 2.955 -7.125 -7.665 1.00 0.27 H new ATOM 0 HA THR A 122 0.026 -7.226 -7.801 1.00 0.27 H new ATOM 0 HB THR A 122 2.092 -9.260 -8.706 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.637 -8.349 -10.816 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.230 -10.143 -10.050 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.144 -10.179 -8.310 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.856 -8.920 -9.348 1.00 0.34 H new ATOM 1880 N SER A 123 -0.298 -8.746 -5.858 1.00 0.24 N ATOM 1881 CA SER A 123 -0.477 -9.553 -4.674 1.00 0.23 C ATOM 1882 C SER A 123 -1.564 -10.594 -4.890 1.00 0.23 C ATOM 1883 O SER A 123 -2.682 -10.267 -5.307 1.00 0.25 O ATOM 1884 CB SER A 123 -0.830 -8.656 -3.487 1.00 0.25 C ATOM 1885 OG SER A 123 -0.101 -7.439 -3.532 1.00 0.38 O ATOM 0 H SER A 123 -1.145 -8.290 -6.198 1.00 0.24 H new ATOM 0 HA SER A 123 0.456 -10.076 -4.463 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.899 -8.444 -3.493 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.614 -9.179 -2.555 1.00 0.25 H new ATOM 0 HG SER A 123 -0.346 -6.882 -2.763 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.224 -11.846 -4.635 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.180 -12.933 -4.769 1.00 0.25 C ATOM 1893 C LYS A 124 -3.168 -12.887 -3.610 1.00 0.22 C ATOM 1894 O LYS A 124 -2.869 -12.330 -2.551 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.461 -14.282 -4.782 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.627 -14.528 -3.536 1.00 0.31 C ATOM 1897 CD LYS A 124 -0.516 -16.007 -3.204 1.00 0.43 C ATOM 1898 CE LYS A 124 0.689 -16.287 -2.320 1.00 0.61 C ATOM 1899 NZ LYS A 124 0.426 -17.377 -1.343 1.00 1.45 N ATOM 0 H LYS A 124 -0.293 -12.135 -4.334 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.715 -12.816 -5.711 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.199 -15.079 -4.881 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.816 -14.334 -5.659 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.371 -14.114 -3.681 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.072 -14.000 -2.693 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -1.424 -16.338 -2.700 1.00 0.43 H new ATOM 0 HD3 LYS A 124 -0.435 -16.583 -4.126 1.00 0.43 H new ATOM 0 HE2 LYS A 124 1.541 -16.558 -2.944 1.00 0.61 H new ATOM 0 HE3 LYS A 124 0.963 -15.379 -1.784 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 1.285 -17.951 -1.223 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 0.155 -16.965 -0.428 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 -0.346 -17.979 -1.694 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.332 -13.478 -3.811 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.377 -13.482 -2.794 1.00 0.23 C ATOM 1915 C LYS A 125 -5.414 -14.815 -2.052 1.00 0.25 C ATOM 1916 O LYS A 125 -5.507 -15.877 -2.660 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.741 -13.202 -3.441 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.751 -12.514 -2.522 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.278 -13.453 -1.451 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.612 -14.064 -1.846 1.00 0.39 C ATOM 1921 NZ LYS A 125 -9.558 -14.739 -3.173 1.00 1.45 N ATOM 0 H LYS A 125 -4.581 -13.964 -4.672 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.153 -12.696 -2.072 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.589 -12.580 -4.323 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.166 -14.145 -3.785 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.282 -11.651 -2.049 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.584 -12.138 -3.116 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.552 -14.247 -1.274 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -8.390 -12.909 -0.513 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -9.917 -14.785 -1.087 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -10.373 -13.284 -1.869 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -10.453 -15.240 -3.344 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -9.410 -14.029 -3.918 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -8.773 -15.421 -3.184 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.342 -14.743 -0.734 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.377 -15.927 0.119 1.00 0.28 C ATOM 1937 C ILE A 126 -6.185 -15.624 1.371 1.00 0.30 C ATOM 1938 O ILE A 126 -6.549 -14.472 1.608 1.00 0.28 O ATOM 1939 CB ILE A 126 -3.963 -16.402 0.545 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -2.869 -15.759 -0.311 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -3.865 -17.916 0.459 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.387 -14.432 0.226 1.00 0.27 C ATOM 0 H ILE A 126 -5.258 -13.865 -0.222 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.835 -16.726 -0.464 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.810 -16.089 1.578 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -2.023 -16.443 -0.380 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.247 -15.617 -1.323 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -2.867 -18.234 0.761 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.605 -18.367 1.120 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -4.053 -18.235 -0.566 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.613 -14.034 -0.430 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.221 -13.732 0.269 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -1.979 -14.571 1.227 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.525 -16.647 2.135 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.268 -16.444 3.365 1.00 0.44 C ATOM 1956 C ALA A 127 -6.679 -17.296 4.482 1.00 0.67 C ATOM 1957 O ALA A 127 -6.662 -18.533 4.336 1.00 1.27 O ATOM 1958 CB ALA A 127 -8.744 -16.749 3.163 1.00 0.46 C ATOM 0 H ALA A 127 -6.300 -17.620 1.927 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.184 -15.396 3.653 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.280 -16.590 4.099 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.150 -16.090 2.396 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -8.862 -17.786 2.850 1.00 0.46 H new