USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1248 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 151 LYS NZ :NH3+ -177:sc= -0.0848 (180deg=0) USER MOD Set 1.2: A 155 GLN : amide:sc= -2.01 K(o=-2.1,f=-6.7!) USER MOD Set 2.1: A 143 THR OG1 : rot -30:sc= 0.138 USER MOD Set 2.2: A 144 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 23 SER OG : rot 180:sc= -0.942 USER MOD Set 3.2: A 130 LYS NZ :NH3+ 145:sc= 0.0586 (180deg=0) USER MOD Set 4.1: A 103 GLN : amide:sc= -2.26 K(o=-6.1,f=-11!) USER MOD Set 4.2: A 117 GLN : amide:sc= -3.8 K(o=-6.1,f=-7.9!) USER MOD Set 5.1: A 44 THR OG1 : rot -58:sc= 0.66 USER MOD Set 5.2: A 48 SER OG : rot 128:sc= 0.992 USER MOD Set 5.3: A 165 HIS : no HD1:sc= -5.69! C(o=-4!,f=-14!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.66) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 180:sc= 0.00655 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 50 MET CE :methyl 176:sc= -1.52 (180deg=-1.6) USER MOD Single : A 62 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.1) USER MOD Single : A 64 ASN : amide:sc= -0.486 K(o=-0.49,f=-1.7) USER MOD Single : A 67 LYS NZ :NH3+ -128:sc= 0.456 (180deg=0) USER MOD Single : A 68 MET CE :methyl -165:sc= -2.32 (180deg=-3.08) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.013) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0909 X(o=-0.091,f=-0.27) USER MOD Single : A 83 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot -30:sc= -1.1! USER MOD Single : A 101 TYR OH : rot 145:sc= -3.55! USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 109 SER OG : rot -42:sc= 0.319 USER MOD Single : A 112 GLN : amide:sc= -2.23! C(o=-2.2!,f=-8!) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 160:sc= 0 USER MOD Single : A 120 THR OG1 : rot -64:sc= -3.98! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= -0.381 K(o=-0.38,f=-2.7!) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.9!) USER MOD Single : A 138 THR OG1 : rot 180:sc= -1.13! USER MOD Single : A 139 THR OG1 : rot 33:sc= -1.86! USER MOD Single : A 145 ASN :FLIP amide:sc= -4.52! C(o=-7.5!,f=-4.5!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 ASN : amide:sc= -0.447 K(o=-0.45,f=-6.1!) USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 160 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 162 MET CE :methyl -161:sc= -14.3! (180deg=-16.8!) USER MOD Single : A 163 THR OG1 : rot 71:sc= 0.188 USER MOD Single : A 164 THR OG1 : rot 92:sc= 1.3 USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ -168:sc= -0.0144 (180deg=-0.268) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 177 SER OG : rot -171:sc= -0.933 USER MOD Single : A 178 SER OG : rot 180:sc= -0.0535 USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0.0081) USER MOD Single : A 185 MET CE :methyl -156:sc= -0.0557 (180deg=-0.945) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 21 19.745 12.627 0.539 1.00 1.12 N ATOM 21 CA THR A 21 20.254 11.557 -0.364 1.00 1.02 C ATOM 22 C THR A 21 19.074 10.869 -1.053 1.00 0.86 C ATOM 23 O THR A 21 17.928 11.139 -0.758 1.00 0.79 O ATOM 24 CB THR A 21 21.029 10.530 0.462 1.00 1.05 C ATOM 25 OG1 THR A 21 21.501 9.498 -0.393 1.00 1.13 O ATOM 26 CG2 THR A 21 20.107 9.933 1.527 1.00 0.92 C ATOM 0 HA THR A 21 20.910 11.993 -1.117 1.00 1.02 H new ATOM 0 HB THR A 21 21.876 11.015 0.948 1.00 1.05 H new ATOM 0 HG1 THR A 21 22.000 8.839 0.134 1.00 1.13 H new ATOM 0 HG21 THR A 21 20.658 9.201 2.117 1.00 0.92 H new ATOM 0 HG22 THR A 21 19.745 10.726 2.181 1.00 0.92 H new ATOM 0 HG23 THR A 21 19.260 9.446 1.044 1.00 0.92 H new ATOM 34 N SER A 22 19.345 9.978 -1.970 1.00 0.81 N ATOM 35 CA SER A 22 18.235 9.271 -2.673 1.00 0.66 C ATOM 36 C SER A 22 17.304 8.632 -1.638 1.00 0.63 C ATOM 37 O SER A 22 16.097 8.729 -1.730 1.00 0.60 O ATOM 38 CB SER A 22 18.817 8.183 -3.576 1.00 0.62 C ATOM 39 OG SER A 22 19.531 8.791 -4.645 1.00 1.23 O ATOM 0 H SER A 22 20.285 9.710 -2.262 1.00 0.81 H new ATOM 0 HA SER A 22 17.673 9.983 -3.278 1.00 0.66 H new ATOM 0 HB2 SER A 22 19.480 7.535 -3.003 1.00 0.62 H new ATOM 0 HB3 SER A 22 18.018 7.554 -3.969 1.00 0.62 H new ATOM 0 HG SER A 22 19.907 8.096 -5.225 1.00 1.23 H new ATOM 45 N SER A 23 17.860 7.986 -0.649 1.00 0.66 N ATOM 46 CA SER A 23 17.015 7.347 0.398 1.00 0.65 C ATOM 47 C SER A 23 16.147 8.418 1.061 1.00 0.64 C ATOM 48 O SER A 23 14.969 8.221 1.285 1.00 0.58 O ATOM 49 CB SER A 23 17.915 6.693 1.448 1.00 0.78 C ATOM 50 OG SER A 23 17.380 5.424 1.800 1.00 0.29 O ATOM 0 H SER A 23 18.866 7.873 -0.521 1.00 0.66 H new ATOM 0 HA SER A 23 16.378 6.587 -0.054 1.00 0.65 H new ATOM 0 HB2 SER A 23 18.926 6.579 1.057 1.00 0.78 H new ATOM 0 HB3 SER A 23 17.985 7.329 2.331 1.00 0.78 H new ATOM 0 HG SER A 23 17.955 5.001 2.471 1.00 0.29 H new ATOM 56 N GLU A 24 16.715 9.555 1.368 1.00 0.72 N ATOM 57 CA GLU A 24 15.913 10.640 2.003 1.00 0.76 C ATOM 58 C GLU A 24 14.706 10.939 1.114 1.00 0.62 C ATOM 59 O GLU A 24 13.638 11.273 1.586 1.00 0.59 O ATOM 60 CB GLU A 24 16.769 11.900 2.146 1.00 0.96 C ATOM 61 CG GLU A 24 17.465 11.893 3.507 1.00 0.79 C ATOM 62 CD GLU A 24 16.615 12.662 4.520 1.00 0.84 C ATOM 63 OE1 GLU A 24 16.757 13.872 4.586 1.00 1.72 O ATOM 64 OE2 GLU A 24 15.835 12.028 5.211 1.00 1.09 O ATOM 0 H GLU A 24 17.697 9.778 1.207 1.00 0.72 H new ATOM 0 HA GLU A 24 15.580 10.325 2.992 1.00 0.76 H new ATOM 0 HB2 GLU A 24 17.510 11.942 1.347 1.00 0.96 H new ATOM 0 HB3 GLU A 24 16.145 12.789 2.049 1.00 0.96 H new ATOM 0 HG2 GLU A 24 17.614 10.868 3.846 1.00 0.79 H new ATOM 0 HG3 GLU A 24 18.452 12.348 3.425 1.00 0.79 H new ATOM 71 N ARG A 25 14.871 10.804 -0.174 1.00 0.56 N ATOM 72 CA ARG A 25 13.738 11.059 -1.103 1.00 0.52 C ATOM 73 C ARG A 25 12.701 9.946 -0.928 1.00 0.29 C ATOM 74 O ARG A 25 11.510 10.179 -0.964 1.00 0.20 O ATOM 75 CB ARG A 25 14.254 11.052 -2.547 1.00 0.61 C ATOM 76 CG ARG A 25 13.899 12.374 -3.231 1.00 1.32 C ATOM 77 CD ARG A 25 13.621 12.122 -4.715 1.00 2.29 C ATOM 78 NE ARG A 25 13.421 13.423 -5.415 1.00 2.54 N ATOM 79 CZ ARG A 25 12.717 13.474 -6.514 1.00 3.58 C ATOM 80 NH1 ARG A 25 11.560 12.872 -6.578 1.00 4.65 N ATOM 81 NH2 ARG A 25 13.170 14.124 -7.553 1.00 3.80 N ATOM 0 H ARG A 25 15.745 10.527 -0.622 1.00 0.56 H new ATOM 0 HA ARG A 25 13.287 12.027 -0.886 1.00 0.52 H new ATOM 0 HB2 ARG A 25 15.334 10.906 -2.556 1.00 0.61 H new ATOM 0 HB3 ARG A 25 13.815 10.219 -3.096 1.00 0.61 H new ATOM 0 HG2 ARG A 25 13.024 12.818 -2.756 1.00 1.32 H new ATOM 0 HG3 ARG A 25 14.717 13.085 -3.119 1.00 1.32 H new ATOM 0 HD2 ARG A 25 14.453 11.580 -5.164 1.00 2.29 H new ATOM 0 HD3 ARG A 25 12.735 11.497 -4.828 1.00 2.29 H new ATOM 0 HE ARG A 25 13.835 14.275 -5.035 1.00 2.54 H new ATOM 0 HH11 ARG A 25 11.205 12.361 -5.769 1.00 4.65 H new ATOM 0 HH12 ARG A 25 11.011 12.912 -7.437 1.00 4.65 H new ATOM 0 HH21 ARG A 25 14.075 14.593 -7.507 1.00 3.80 H new ATOM 0 HH22 ARG A 25 12.619 14.163 -8.410 1.00 3.80 H new ATOM 95 N ILE A 26 13.155 8.737 -0.735 1.00 0.24 N ATOM 96 CA ILE A 26 12.213 7.594 -0.552 1.00 0.12 C ATOM 97 C ILE A 26 11.265 7.892 0.619 1.00 0.11 C ATOM 98 O ILE A 26 10.065 7.771 0.498 1.00 0.13 O ATOM 99 CB ILE A 26 13.022 6.322 -0.261 1.00 0.31 C ATOM 100 CG1 ILE A 26 13.839 5.939 -1.503 1.00 0.64 C ATOM 101 CG2 ILE A 26 12.086 5.167 0.111 1.00 0.18 C ATOM 102 CD1 ILE A 26 12.907 5.556 -2.662 1.00 0.62 C ATOM 0 H ILE A 26 14.144 8.490 -0.696 1.00 0.24 H new ATOM 0 HA ILE A 26 11.623 7.451 -1.457 1.00 0.12 H new ATOM 0 HB ILE A 26 13.693 6.515 0.576 1.00 0.31 H new ATOM 0 HG12 ILE A 26 14.474 6.774 -1.800 1.00 0.64 H new ATOM 0 HG13 ILE A 26 14.499 5.104 -1.268 1.00 0.64 H new ATOM 0 HG21 ILE A 26 12.675 4.273 0.314 1.00 0.18 H new ATOM 0 HG22 ILE A 26 11.514 5.434 0.999 1.00 0.18 H new ATOM 0 HG23 ILE A 26 11.403 4.972 -0.716 1.00 0.18 H new ATOM 0 HD11 ILE A 26 13.503 5.287 -3.534 1.00 0.62 H new ATOM 0 HD12 ILE A 26 12.291 4.706 -2.368 1.00 0.62 H new ATOM 0 HD13 ILE A 26 12.265 6.402 -2.908 1.00 0.62 H new ATOM 114 N ASP A 27 11.799 8.269 1.750 1.00 0.15 N ATOM 115 CA ASP A 27 10.931 8.563 2.930 1.00 0.24 C ATOM 116 C ASP A 27 10.015 9.750 2.618 1.00 0.31 C ATOM 117 O ASP A 27 8.817 9.692 2.810 1.00 0.37 O ATOM 118 CB ASP A 27 11.816 8.904 4.132 1.00 0.27 C ATOM 119 CG ASP A 27 10.938 9.247 5.338 1.00 0.27 C ATOM 120 OD1 ASP A 27 9.939 8.573 5.530 1.00 0.88 O ATOM 121 OD2 ASP A 27 11.279 10.179 6.048 1.00 1.28 O ATOM 0 H ASP A 27 12.800 8.387 1.909 1.00 0.15 H new ATOM 0 HA ASP A 27 10.320 7.690 3.157 1.00 0.24 H new ATOM 0 HB2 ASP A 27 12.464 8.060 4.370 1.00 0.27 H new ATOM 0 HB3 ASP A 27 12.465 9.746 3.891 1.00 0.27 H new ATOM 126 N LYS A 28 10.574 10.826 2.139 1.00 0.33 N ATOM 127 CA LYS A 28 9.749 12.022 1.811 1.00 0.41 C ATOM 128 C LYS A 28 8.703 11.650 0.747 1.00 0.37 C ATOM 129 O LYS A 28 7.737 12.359 0.545 1.00 0.64 O ATOM 130 CB LYS A 28 10.685 13.131 1.291 1.00 0.47 C ATOM 131 CG LYS A 28 9.898 14.201 0.521 1.00 1.07 C ATOM 132 CD LYS A 28 9.827 13.798 -0.953 1.00 2.12 C ATOM 133 CE LYS A 28 9.929 15.044 -1.835 1.00 2.91 C ATOM 134 NZ LYS A 28 11.251 15.054 -2.523 1.00 3.82 N ATOM 0 H LYS A 28 11.573 10.929 1.960 1.00 0.33 H new ATOM 0 HA LYS A 28 9.223 12.378 2.697 1.00 0.41 H new ATOM 0 HB2 LYS A 28 11.208 13.592 2.129 1.00 0.47 H new ATOM 0 HB3 LYS A 28 11.444 12.696 0.641 1.00 0.47 H new ATOM 0 HG2 LYS A 28 8.894 14.300 0.934 1.00 1.07 H new ATOM 0 HG3 LYS A 28 10.382 15.172 0.624 1.00 1.07 H new ATOM 0 HD2 LYS A 28 10.635 13.106 -1.190 1.00 2.12 H new ATOM 0 HD3 LYS A 28 8.891 13.275 -1.152 1.00 2.12 H new ATOM 0 HE2 LYS A 28 9.124 15.050 -2.570 1.00 2.91 H new ATOM 0 HE3 LYS A 28 9.815 15.943 -1.229 1.00 2.91 H new ATOM 0 HZ1 LYS A 28 11.323 15.900 -3.124 1.00 3.82 H new ATOM 0 HZ2 LYS A 28 12.011 15.067 -1.814 1.00 3.82 H new ATOM 0 HZ3 LYS A 28 11.342 14.202 -3.113 1.00 3.82 H new ATOM 148 N GLN A 29 8.891 10.557 0.062 1.00 0.07 N ATOM 149 CA GLN A 29 7.912 10.165 -0.987 1.00 0.07 C ATOM 150 C GLN A 29 6.776 9.340 -0.369 1.00 0.10 C ATOM 151 O GLN A 29 5.624 9.499 -0.726 1.00 0.12 O ATOM 152 CB GLN A 29 8.631 9.346 -2.057 1.00 0.07 C ATOM 153 CG GLN A 29 8.127 9.762 -3.442 1.00 0.89 C ATOM 154 CD GLN A 29 8.467 11.233 -3.685 1.00 0.67 C ATOM 155 OE1 GLN A 29 9.591 11.649 -3.487 1.00 1.40 O ATOM 156 NE2 GLN A 29 7.537 12.045 -4.109 1.00 1.78 N ATOM 0 H GLN A 29 9.678 9.920 0.183 1.00 0.07 H new ATOM 0 HA GLN A 29 7.483 11.060 -1.437 1.00 0.07 H new ATOM 0 HB2 GLN A 29 9.707 9.502 -1.988 1.00 0.07 H new ATOM 0 HB3 GLN A 29 8.453 8.283 -1.897 1.00 0.07 H new ATOM 0 HG2 GLN A 29 8.586 9.140 -4.210 1.00 0.89 H new ATOM 0 HG3 GLN A 29 7.050 9.610 -3.510 1.00 0.89 H new ATOM 0 HE21 GLN A 29 6.593 11.697 -4.276 1.00 1.78 H new ATOM 0 HE22 GLN A 29 7.754 13.028 -4.274 1.00 1.78 H new ATOM 165 N ILE A 30 7.076 8.468 0.562 1.00 0.11 N ATOM 166 CA ILE A 30 5.981 7.669 1.186 1.00 0.13 C ATOM 167 C ILE A 30 5.067 8.630 1.943 1.00 0.08 C ATOM 168 O ILE A 30 3.870 8.458 1.979 1.00 0.09 O ATOM 169 CB ILE A 30 6.541 6.638 2.172 1.00 0.16 C ATOM 170 CG1 ILE A 30 7.642 5.792 1.498 1.00 0.32 C ATOM 171 CG2 ILE A 30 5.402 5.742 2.662 1.00 0.15 C ATOM 172 CD1 ILE A 30 7.026 4.704 0.603 1.00 0.60 C ATOM 0 H ILE A 30 8.015 8.278 0.911 1.00 0.11 H new ATOM 0 HA ILE A 30 5.439 7.136 0.405 1.00 0.13 H new ATOM 0 HB ILE A 30 6.985 7.154 3.023 1.00 0.16 H new ATOM 0 HG12 ILE A 30 8.288 6.437 0.902 1.00 0.32 H new ATOM 0 HG13 ILE A 30 8.269 5.330 2.260 1.00 0.32 H new ATOM 0 HG21 ILE A 30 5.794 5.006 3.364 1.00 0.15 H new ATOM 0 HG22 ILE A 30 4.648 6.352 3.159 1.00 0.15 H new ATOM 0 HG23 ILE A 30 4.952 5.229 1.812 1.00 0.15 H new ATOM 0 HD11 ILE A 30 7.822 4.121 0.139 1.00 0.60 H new ATOM 0 HD12 ILE A 30 6.400 4.047 1.207 1.00 0.60 H new ATOM 0 HD13 ILE A 30 6.419 5.171 -0.173 1.00 0.60 H new ATOM 184 N ARG A 31 5.628 9.649 2.540 1.00 0.06 N ATOM 185 CA ARG A 31 4.790 10.633 3.285 1.00 0.04 C ATOM 186 C ARG A 31 3.717 11.174 2.342 1.00 0.05 C ATOM 187 O ARG A 31 2.631 11.538 2.753 1.00 0.04 O ATOM 188 CB ARG A 31 5.671 11.787 3.775 1.00 0.05 C ATOM 189 CG ARG A 31 5.055 12.408 5.032 1.00 0.23 C ATOM 190 CD ARG A 31 4.517 13.801 4.701 1.00 0.88 C ATOM 191 NE ARG A 31 3.314 14.079 5.534 1.00 1.68 N ATOM 192 CZ ARG A 31 3.176 15.240 6.114 1.00 1.98 C ATOM 193 NH1 ARG A 31 4.055 15.637 6.993 1.00 1.50 N ATOM 194 NH2 ARG A 31 2.162 16.005 5.813 1.00 3.03 N ATOM 0 H ARG A 31 6.630 9.842 2.544 1.00 0.06 H new ATOM 0 HA ARG A 31 4.322 10.151 4.143 1.00 0.04 H new ATOM 0 HB2 ARG A 31 6.676 11.424 3.992 1.00 0.05 H new ATOM 0 HB3 ARG A 31 5.766 12.541 2.994 1.00 0.05 H new ATOM 0 HG2 ARG A 31 4.250 11.775 5.406 1.00 0.23 H new ATOM 0 HG3 ARG A 31 5.803 12.474 5.822 1.00 0.23 H new ATOM 0 HD2 ARG A 31 5.284 14.553 4.888 1.00 0.88 H new ATOM 0 HD3 ARG A 31 4.262 13.862 3.643 1.00 0.88 H new ATOM 0 HE ARG A 31 2.598 13.362 5.651 1.00 1.68 H new ATOM 0 HH11 ARG A 31 4.849 15.040 7.226 1.00 1.50 H new ATOM 0 HH12 ARG A 31 3.948 16.544 7.447 1.00 1.50 H new ATOM 0 HH21 ARG A 31 1.477 15.696 5.124 1.00 3.03 H new ATOM 0 HH22 ARG A 31 2.055 16.912 6.267 1.00 3.03 H new ATOM 208 N TYR A 32 4.013 11.206 1.074 1.00 0.07 N ATOM 209 CA TYR A 32 3.022 11.698 0.084 1.00 0.09 C ATOM 210 C TYR A 32 1.998 10.593 -0.155 1.00 0.08 C ATOM 211 O TYR A 32 0.821 10.844 -0.317 1.00 0.08 O ATOM 212 CB TYR A 32 3.741 12.023 -1.227 1.00 0.11 C ATOM 213 CG TYR A 32 3.193 13.303 -1.806 1.00 0.07 C ATOM 214 CD1 TYR A 32 1.875 13.354 -2.272 1.00 0.93 C ATOM 215 CD2 TYR A 32 4.007 14.438 -1.882 1.00 0.89 C ATOM 216 CE1 TYR A 32 1.371 14.541 -2.814 1.00 0.91 C ATOM 217 CE2 TYR A 32 3.504 15.625 -2.424 1.00 0.90 C ATOM 218 CZ TYR A 32 2.185 15.677 -2.891 1.00 0.04 C ATOM 219 OH TYR A 32 1.688 16.847 -3.428 1.00 0.07 O ATOM 0 H TYR A 32 4.906 10.910 0.680 1.00 0.07 H new ATOM 0 HA TYR A 32 2.526 12.596 0.453 1.00 0.09 H new ATOM 0 HB2 TYR A 32 4.812 12.122 -1.050 1.00 0.11 H new ATOM 0 HB3 TYR A 32 3.609 11.206 -1.937 1.00 0.11 H new ATOM 0 HD1 TYR A 32 1.247 12.477 -2.213 1.00 0.93 H new ATOM 0 HD2 TYR A 32 5.024 14.398 -1.522 1.00 0.89 H new ATOM 0 HE1 TYR A 32 0.353 14.581 -3.173 1.00 0.91 H new ATOM 0 HE2 TYR A 32 4.133 16.501 -2.482 1.00 0.90 H new ATOM 0 HH TYR A 32 2.382 17.538 -3.405 1.00 0.07 H new ATOM 229 N ILE A 33 2.445 9.367 -0.171 1.00 0.08 N ATOM 230 CA ILE A 33 1.508 8.235 -0.392 1.00 0.08 C ATOM 231 C ILE A 33 0.434 8.241 0.696 1.00 0.13 C ATOM 232 O ILE A 33 -0.731 8.025 0.433 1.00 0.19 O ATOM 233 CB ILE A 33 2.278 6.916 -0.345 1.00 0.09 C ATOM 234 CG1 ILE A 33 3.420 6.964 -1.366 1.00 0.04 C ATOM 235 CG2 ILE A 33 1.329 5.764 -0.684 1.00 0.15 C ATOM 236 CD1 ILE A 33 4.128 5.608 -1.416 1.00 0.19 C ATOM 0 H ILE A 33 3.421 9.102 -0.040 1.00 0.08 H new ATOM 0 HA ILE A 33 1.035 8.342 -1.368 1.00 0.08 H new ATOM 0 HB ILE A 33 2.689 6.762 0.653 1.00 0.09 H new ATOM 0 HG12 ILE A 33 3.029 7.217 -2.351 1.00 0.04 H new ATOM 0 HG13 ILE A 33 4.130 7.745 -1.095 1.00 0.04 H new ATOM 0 HG21 ILE A 33 1.875 4.821 -0.651 1.00 0.15 H new ATOM 0 HG22 ILE A 33 0.515 5.737 0.041 1.00 0.15 H new ATOM 0 HG23 ILE A 33 0.920 5.912 -1.683 1.00 0.15 H new ATOM 0 HD11 ILE A 33 4.939 5.648 -2.143 1.00 0.19 H new ATOM 0 HD12 ILE A 33 4.534 5.373 -0.432 1.00 0.19 H new ATOM 0 HD13 ILE A 33 3.416 4.836 -1.708 1.00 0.19 H new ATOM 248 N LEU A 34 0.821 8.490 1.915 1.00 0.12 N ATOM 249 CA LEU A 34 -0.162 8.515 3.031 1.00 0.19 C ATOM 250 C LEU A 34 -1.118 9.693 2.848 1.00 0.18 C ATOM 251 O LEU A 34 -2.321 9.542 2.913 1.00 0.27 O ATOM 252 CB LEU A 34 0.589 8.676 4.350 1.00 0.21 C ATOM 253 CG LEU A 34 0.966 7.300 4.900 1.00 0.61 C ATOM 254 CD1 LEU A 34 2.404 6.965 4.498 1.00 0.99 C ATOM 255 CD2 LEU A 34 0.856 7.318 6.425 1.00 0.48 C ATOM 0 H LEU A 34 1.786 8.679 2.188 1.00 0.12 H new ATOM 0 HA LEU A 34 -0.732 7.586 3.037 1.00 0.19 H new ATOM 0 HB2 LEU A 34 1.486 9.276 4.198 1.00 0.21 H new ATOM 0 HB3 LEU A 34 -0.032 9.209 5.070 1.00 0.21 H new ATOM 0 HG LEU A 34 0.291 6.547 4.493 1.00 0.61 H new ATOM 0 HD11 LEU A 34 2.672 5.984 4.890 1.00 0.99 H new ATOM 0 HD12 LEU A 34 2.485 6.956 3.411 1.00 0.99 H new ATOM 0 HD13 LEU A 34 3.080 7.716 4.906 1.00 0.99 H new ATOM 0 HD21 LEU A 34 1.124 6.338 6.821 1.00 0.48 H new ATOM 0 HD22 LEU A 34 1.533 8.070 6.830 1.00 0.48 H new ATOM 0 HD23 LEU A 34 -0.167 7.558 6.713 1.00 0.48 H new ATOM 267 N ASP A 35 -0.592 10.869 2.612 1.00 0.17 N ATOM 268 CA ASP A 35 -1.476 12.057 2.417 1.00 0.24 C ATOM 269 C ASP A 35 -2.503 11.724 1.340 1.00 0.24 C ATOM 270 O ASP A 35 -3.615 12.214 1.347 1.00 0.30 O ATOM 271 CB ASP A 35 -0.637 13.259 1.977 1.00 0.28 C ATOM 272 CG ASP A 35 -1.216 14.539 2.584 1.00 0.72 C ATOM 273 OD1 ASP A 35 -2.285 14.944 2.156 1.00 1.70 O ATOM 274 OD2 ASP A 35 -0.581 15.093 3.467 1.00 0.95 O ATOM 0 H ASP A 35 0.408 11.057 2.546 1.00 0.17 H new ATOM 0 HA ASP A 35 -1.981 12.304 3.351 1.00 0.24 H new ATOM 0 HB2 ASP A 35 0.397 13.129 2.295 1.00 0.28 H new ATOM 0 HB3 ASP A 35 -0.629 13.331 0.889 1.00 0.28 H new ATOM 279 N GLY A 36 -2.140 10.870 0.426 1.00 0.23 N ATOM 280 CA GLY A 36 -3.093 10.475 -0.638 1.00 0.29 C ATOM 281 C GLY A 36 -4.164 9.585 -0.016 1.00 0.29 C ATOM 282 O GLY A 36 -5.339 9.759 -0.249 1.00 0.36 O ATOM 0 H GLY A 36 -1.222 10.429 0.372 1.00 0.23 H new ATOM 0 HA2 GLY A 36 -3.547 11.358 -1.088 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -2.573 9.943 -1.435 1.00 0.29 H new ATOM 286 N ILE A 37 -3.758 8.635 0.784 1.00 0.24 N ATOM 287 CA ILE A 37 -4.740 7.722 1.440 1.00 0.22 C ATOM 288 C ILE A 37 -5.770 8.536 2.226 1.00 0.18 C ATOM 289 O ILE A 37 -6.860 8.069 2.494 1.00 0.20 O ATOM 290 CB ILE A 37 -4.011 6.780 2.405 1.00 0.22 C ATOM 291 CG1 ILE A 37 -2.930 5.995 1.655 1.00 0.34 C ATOM 292 CG2 ILE A 37 -5.017 5.801 3.011 1.00 0.20 C ATOM 293 CD1 ILE A 37 -3.553 5.259 0.466 1.00 0.30 C ATOM 0 H ILE A 37 -2.781 8.451 1.013 1.00 0.24 H new ATOM 0 HA ILE A 37 -5.245 7.141 0.668 1.00 0.22 H new ATOM 0 HB ILE A 37 -3.543 7.368 3.195 1.00 0.22 H new ATOM 0 HG12 ILE A 37 -2.151 6.673 1.307 1.00 0.34 H new ATOM 0 HG13 ILE A 37 -2.454 5.281 2.327 1.00 0.34 H new ATOM 0 HG21 ILE A 37 -4.502 5.129 3.698 1.00 0.20 H new ATOM 0 HG22 ILE A 37 -5.784 6.356 3.552 1.00 0.20 H new ATOM 0 HG23 ILE A 37 -5.483 5.219 2.216 1.00 0.20 H new ATOM 0 HD11 ILE A 37 -2.779 4.703 -0.063 1.00 0.30 H new ATOM 0 HD12 ILE A 37 -4.316 4.568 0.825 1.00 0.30 H new ATOM 0 HD13 ILE A 37 -4.008 5.982 -0.211 1.00 0.30 H new ATOM 305 N SER A 38 -5.451 9.750 2.586 1.00 0.18 N ATOM 306 CA SER A 38 -6.436 10.571 3.333 1.00 0.27 C ATOM 307 C SER A 38 -7.581 10.861 2.379 1.00 0.37 C ATOM 308 O SER A 38 -8.747 10.737 2.712 1.00 0.43 O ATOM 309 CB SER A 38 -5.788 11.883 3.783 1.00 0.31 C ATOM 310 OG SER A 38 -6.801 12.862 3.981 1.00 1.70 O ATOM 0 H SER A 38 -4.557 10.203 2.395 1.00 0.18 H new ATOM 0 HA SER A 38 -6.789 10.047 4.221 1.00 0.27 H new ATOM 0 HB2 SER A 38 -5.230 11.729 4.706 1.00 0.31 H new ATOM 0 HB3 SER A 38 -5.075 12.226 3.033 1.00 0.31 H new ATOM 0 HG SER A 38 -6.391 13.703 4.271 1.00 1.70 H new ATOM 316 N ALA A 39 -7.244 11.214 1.173 1.00 0.41 N ATOM 317 CA ALA A 39 -8.284 11.484 0.162 1.00 0.54 C ATOM 318 C ALA A 39 -8.844 10.151 -0.336 1.00 0.53 C ATOM 319 O ALA A 39 -9.908 10.095 -0.920 1.00 0.60 O ATOM 320 CB ALA A 39 -7.678 12.261 -1.008 1.00 0.64 C ATOM 0 H ALA A 39 -6.284 11.326 0.847 1.00 0.41 H new ATOM 0 HA ALA A 39 -9.084 12.079 0.603 1.00 0.54 H new ATOM 0 HB1 ALA A 39 -8.450 12.458 -1.752 1.00 0.64 H new ATOM 0 HB2 ALA A 39 -7.273 13.206 -0.646 1.00 0.64 H new ATOM 0 HB3 ALA A 39 -6.879 11.673 -1.460 1.00 0.64 H new ATOM 326 N LEU A 40 -8.141 9.070 -0.101 1.00 0.45 N ATOM 327 CA LEU A 40 -8.651 7.752 -0.553 1.00 0.46 C ATOM 328 C LEU A 40 -9.322 7.026 0.614 1.00 0.39 C ATOM 329 O LEU A 40 -9.823 5.936 0.456 1.00 0.46 O ATOM 330 CB LEU A 40 -7.504 6.877 -1.080 1.00 0.48 C ATOM 331 CG LEU A 40 -6.676 7.618 -2.140 1.00 0.57 C ATOM 332 CD1 LEU A 40 -5.843 6.600 -2.917 1.00 0.92 C ATOM 333 CD2 LEU A 40 -7.587 8.367 -3.118 1.00 0.16 C ATOM 0 H LEU A 40 -7.243 9.049 0.382 1.00 0.45 H new ATOM 0 HA LEU A 40 -9.371 7.924 -1.353 1.00 0.46 H new ATOM 0 HB2 LEU A 40 -6.859 6.583 -0.252 1.00 0.48 H new ATOM 0 HB3 LEU A 40 -7.910 5.961 -1.508 1.00 0.48 H new ATOM 0 HG LEU A 40 -6.031 8.341 -1.640 1.00 0.57 H new ATOM 0 HD11 LEU A 40 -5.251 7.116 -3.673 1.00 0.92 H new ATOM 0 HD12 LEU A 40 -5.178 6.075 -2.231 1.00 0.92 H new ATOM 0 HD13 LEU A 40 -6.505 5.882 -3.402 1.00 0.92 H new ATOM 0 HD21 LEU A 40 -6.978 8.884 -3.859 1.00 0.16 H new ATOM 0 HD22 LEU A 40 -8.244 7.657 -3.620 1.00 0.16 H new ATOM 0 HD23 LEU A 40 -8.188 9.094 -2.572 1.00 0.16 H new ATOM 345 N ARG A 41 -9.335 7.613 1.783 1.00 0.28 N ATOM 346 CA ARG A 41 -9.979 6.938 2.942 1.00 0.19 C ATOM 347 C ARG A 41 -10.858 7.934 3.703 1.00 0.19 C ATOM 348 O ARG A 41 -11.367 7.635 4.761 1.00 0.23 O ATOM 349 CB ARG A 41 -8.907 6.385 3.882 1.00 0.19 C ATOM 350 CG ARG A 41 -9.533 5.330 4.796 1.00 0.15 C ATOM 351 CD ARG A 41 -8.672 5.159 6.049 1.00 0.44 C ATOM 352 NE ARG A 41 -9.546 5.165 7.257 1.00 0.83 N ATOM 353 CZ ARG A 41 -9.037 5.427 8.431 1.00 0.76 C ATOM 354 NH1 ARG A 41 -8.215 6.429 8.577 1.00 1.62 N ATOM 355 NH2 ARG A 41 -9.356 4.689 9.460 1.00 1.10 N ATOM 0 H ARG A 41 -8.928 8.527 1.982 1.00 0.28 H new ATOM 0 HA ARG A 41 -10.597 6.118 2.575 1.00 0.19 H new ATOM 0 HB2 ARG A 41 -8.092 5.946 3.306 1.00 0.19 H new ATOM 0 HB3 ARG A 41 -8.478 7.191 4.478 1.00 0.19 H new ATOM 0 HG2 ARG A 41 -10.543 5.630 5.075 1.00 0.15 H new ATOM 0 HG3 ARG A 41 -9.617 4.380 4.268 1.00 0.15 H new ATOM 0 HD2 ARG A 41 -8.114 4.224 5.995 1.00 0.44 H new ATOM 0 HD3 ARG A 41 -7.940 5.964 6.113 1.00 0.44 H new ATOM 0 HE ARG A 41 -10.542 4.964 7.167 1.00 0.83 H new ATOM 0 HH11 ARG A 41 -7.969 7.008 7.774 1.00 1.62 H new ATOM 0 HH12 ARG A 41 -7.818 6.633 9.494 1.00 1.62 H new ATOM 0 HH21 ARG A 41 -10.002 3.908 9.347 1.00 1.10 H new ATOM 0 HH22 ARG A 41 -8.959 4.893 10.377 1.00 1.10 H new ATOM 369 N LYS A 42 -11.051 9.112 3.175 1.00 0.33 N ATOM 370 CA LYS A 42 -11.909 10.102 3.876 1.00 0.34 C ATOM 371 C LYS A 42 -13.358 9.882 3.440 1.00 0.26 C ATOM 372 O LYS A 42 -14.263 9.791 4.253 1.00 0.24 O ATOM 373 CB LYS A 42 -11.460 11.516 3.488 1.00 0.50 C ATOM 374 CG LYS A 42 -12.405 12.551 4.104 1.00 0.99 C ATOM 375 CD LYS A 42 -13.035 13.393 2.992 1.00 2.34 C ATOM 376 CE LYS A 42 -12.347 14.759 2.929 1.00 2.92 C ATOM 377 NZ LYS A 42 -13.129 15.670 2.046 1.00 4.16 N ATOM 0 H LYS A 42 -10.652 9.429 2.291 1.00 0.33 H new ATOM 0 HA LYS A 42 -11.826 9.982 4.956 1.00 0.34 H new ATOM 0 HB2 LYS A 42 -10.441 11.691 3.833 1.00 0.50 H new ATOM 0 HB3 LYS A 42 -11.451 11.619 2.403 1.00 0.50 H new ATOM 0 HG2 LYS A 42 -13.183 12.051 4.681 1.00 0.99 H new ATOM 0 HG3 LYS A 42 -11.858 13.193 4.795 1.00 0.99 H new ATOM 0 HD2 LYS A 42 -12.937 12.881 2.035 1.00 2.34 H new ATOM 0 HD3 LYS A 42 -14.101 13.520 3.178 1.00 2.34 H new ATOM 0 HE2 LYS A 42 -12.268 15.185 3.929 1.00 2.92 H new ATOM 0 HE3 LYS A 42 -11.332 14.649 2.548 1.00 2.92 H new ATOM 0 HZ1 LYS A 42 -12.661 16.598 2.003 1.00 4.16 H new ATOM 0 HZ2 LYS A 42 -13.183 15.265 1.090 1.00 4.16 H new ATOM 0 HZ3 LYS A 42 -14.090 15.784 2.428 1.00 4.16 H new ATOM 391 N GLU A 43 -13.577 9.779 2.159 1.00 0.26 N ATOM 392 CA GLU A 43 -14.952 9.561 1.648 1.00 0.22 C ATOM 393 C GLU A 43 -15.306 8.086 1.788 1.00 0.17 C ATOM 394 O GLU A 43 -16.407 7.733 2.183 1.00 0.20 O ATOM 395 CB GLU A 43 -15.013 9.964 0.173 1.00 0.30 C ATOM 396 CG GLU A 43 -16.344 10.661 -0.112 1.00 0.42 C ATOM 397 CD GLU A 43 -17.139 9.844 -1.130 1.00 1.51 C ATOM 398 OE1 GLU A 43 -17.217 8.639 -0.961 1.00 2.63 O ATOM 399 OE2 GLU A 43 -17.656 10.437 -2.063 1.00 1.45 O ATOM 0 H GLU A 43 -12.854 9.837 1.441 1.00 0.26 H new ATOM 0 HA GLU A 43 -15.659 10.164 2.218 1.00 0.22 H new ATOM 0 HB2 GLU A 43 -14.184 10.629 -0.068 1.00 0.30 H new ATOM 0 HB3 GLU A 43 -14.909 9.083 -0.460 1.00 0.30 H new ATOM 0 HG2 GLU A 43 -16.915 10.768 0.810 1.00 0.42 H new ATOM 0 HG3 GLU A 43 -16.166 11.666 -0.495 1.00 0.42 H new ATOM 406 N THR A 44 -14.376 7.219 1.473 1.00 0.11 N ATOM 407 CA THR A 44 -14.645 5.759 1.580 1.00 0.14 C ATOM 408 C THR A 44 -14.372 5.266 3.007 1.00 0.15 C ATOM 409 O THR A 44 -13.840 4.194 3.216 1.00 0.32 O ATOM 410 CB THR A 44 -13.762 5.000 0.588 1.00 0.21 C ATOM 411 OG1 THR A 44 -14.103 3.621 0.612 1.00 0.36 O ATOM 412 CG2 THR A 44 -12.293 5.167 0.971 1.00 0.37 C ATOM 0 H THR A 44 -13.441 7.464 1.146 1.00 0.11 H new ATOM 0 HA THR A 44 -15.694 5.576 1.345 1.00 0.14 H new ATOM 0 HB THR A 44 -13.920 5.399 -0.414 1.00 0.21 H new ATOM 0 HG1 THR A 44 -13.997 3.274 1.522 1.00 0.36 H new ATOM 0 HG21 THR A 44 -11.668 4.625 0.262 1.00 0.37 H new ATOM 0 HG22 THR A 44 -12.030 6.225 0.952 1.00 0.37 H new ATOM 0 HG23 THR A 44 -12.131 4.771 1.974 1.00 0.37 H new ATOM 420 N CYS A 45 -14.765 6.032 3.983 1.00 0.16 N ATOM 421 CA CYS A 45 -14.580 5.628 5.398 1.00 0.27 C ATOM 422 C CYS A 45 -15.745 6.229 6.169 1.00 0.31 C ATOM 423 O CYS A 45 -16.437 5.557 6.908 1.00 0.35 O ATOM 424 CB CYS A 45 -13.256 6.171 5.942 1.00 0.62 C ATOM 425 SG CYS A 45 -13.114 5.803 7.715 1.00 1.75 S ATOM 0 H CYS A 45 -15.215 6.938 3.855 1.00 0.16 H new ATOM 0 HA CYS A 45 -14.552 4.543 5.495 1.00 0.27 H new ATOM 0 HB2 CYS A 45 -12.421 5.725 5.402 1.00 0.62 H new ATOM 0 HB3 CYS A 45 -13.201 7.248 5.780 1.00 0.62 H new ATOM 0 HG CYS A 45 -11.986 6.266 8.165 1.00 1.75 H new ATOM 430 N ASN A 46 -15.989 7.497 5.966 1.00 0.45 N ATOM 431 CA ASN A 46 -17.134 8.143 6.649 1.00 0.67 C ATOM 432 C ASN A 46 -18.422 7.646 5.987 1.00 0.68 C ATOM 433 O ASN A 46 -19.305 7.124 6.638 1.00 0.83 O ATOM 434 CB ASN A 46 -17.029 9.663 6.502 1.00 0.86 C ATOM 435 CG ASN A 46 -16.682 10.284 7.857 1.00 0.39 C ATOM 436 OD1 ASN A 46 -17.415 11.109 8.365 1.00 1.13 O ATOM 437 ND2 ASN A 46 -15.586 9.923 8.466 1.00 1.29 N ATOM 0 H ASN A 46 -15.443 8.107 5.357 1.00 0.45 H new ATOM 0 HA ASN A 46 -17.134 7.894 7.710 1.00 0.67 H new ATOM 0 HB2 ASN A 46 -16.264 9.916 5.768 1.00 0.86 H new ATOM 0 HB3 ASN A 46 -17.971 10.069 6.134 1.00 0.86 H new ATOM 0 HD21 ASN A 46 -15.345 10.333 9.368 1.00 1.29 H new ATOM 0 HD22 ASN A 46 -14.970 9.230 8.040 1.00 1.29 H new ATOM 444 N LYS A 47 -18.530 7.790 4.689 1.00 0.58 N ATOM 445 CA LYS A 47 -19.751 7.309 3.988 1.00 0.71 C ATOM 446 C LYS A 47 -19.527 5.880 3.485 1.00 0.69 C ATOM 447 O LYS A 47 -20.022 5.499 2.443 1.00 1.07 O ATOM 448 CB LYS A 47 -20.060 8.227 2.804 1.00 0.71 C ATOM 449 CG LYS A 47 -21.204 9.173 3.175 1.00 0.81 C ATOM 450 CD LYS A 47 -21.494 10.110 2.001 1.00 1.25 C ATOM 451 CE LYS A 47 -20.900 11.490 2.292 1.00 1.58 C ATOM 452 NZ LYS A 47 -19.927 11.847 1.220 1.00 2.92 N ATOM 0 H LYS A 47 -17.825 8.219 4.090 1.00 0.58 H new ATOM 0 HA LYS A 47 -20.592 7.320 4.682 1.00 0.71 H new ATOM 0 HB2 LYS A 47 -19.173 8.800 2.534 1.00 0.71 H new ATOM 0 HB3 LYS A 47 -20.334 7.633 1.932 1.00 0.71 H new ATOM 0 HG2 LYS A 47 -22.097 8.600 3.426 1.00 0.81 H new ATOM 0 HG3 LYS A 47 -20.938 9.752 4.059 1.00 0.81 H new ATOM 0 HD2 LYS A 47 -21.067 9.704 1.084 1.00 1.25 H new ATOM 0 HD3 LYS A 47 -22.569 10.191 1.843 1.00 1.25 H new ATOM 0 HE2 LYS A 47 -21.693 12.236 2.342 1.00 1.58 H new ATOM 0 HE3 LYS A 47 -20.404 11.487 3.262 1.00 1.58 H new ATOM 0 HZ1 LYS A 47 -19.523 12.785 1.417 1.00 2.92 H new ATOM 0 HZ2 LYS A 47 -19.165 11.140 1.193 1.00 2.92 H new ATOM 0 HZ3 LYS A 47 -20.414 11.866 0.301 1.00 2.92 H new ATOM 466 N SER A 48 -18.774 5.089 4.201 1.00 0.51 N ATOM 467 CA SER A 48 -18.515 3.696 3.738 1.00 0.47 C ATOM 468 C SER A 48 -19.247 2.685 4.629 1.00 0.59 C ATOM 469 O SER A 48 -19.256 1.504 4.355 1.00 1.08 O ATOM 470 CB SER A 48 -17.013 3.420 3.784 1.00 0.42 C ATOM 471 OG SER A 48 -16.633 2.691 2.624 1.00 1.00 O ATOM 0 H SER A 48 -18.329 5.346 5.082 1.00 0.51 H new ATOM 0 HA SER A 48 -18.883 3.591 2.717 1.00 0.47 H new ATOM 0 HB2 SER A 48 -16.461 4.358 3.835 1.00 0.42 H new ATOM 0 HB3 SER A 48 -16.763 2.854 4.681 1.00 0.42 H new ATOM 0 HG SER A 48 -15.877 3.139 2.189 1.00 1.00 H new ATOM 477 N ASN A 49 -19.851 3.130 5.697 1.00 0.26 N ATOM 478 CA ASN A 49 -20.582 2.188 6.603 1.00 0.46 C ATOM 479 C ASN A 49 -19.730 0.943 6.909 1.00 0.52 C ATOM 480 O ASN A 49 -20.245 -0.086 7.296 1.00 0.91 O ATOM 481 CB ASN A 49 -21.886 1.755 5.930 1.00 0.56 C ATOM 482 CG ASN A 49 -22.974 1.572 6.990 1.00 1.26 C ATOM 483 OD1 ASN A 49 -23.054 0.537 7.622 1.00 2.42 O ATOM 484 ND2 ASN A 49 -23.819 2.540 7.213 1.00 1.23 N ATOM 0 H ASN A 49 -19.872 4.108 5.985 1.00 0.26 H new ATOM 0 HA ASN A 49 -20.792 2.701 7.541 1.00 0.46 H new ATOM 0 HB2 ASN A 49 -22.197 2.503 5.201 1.00 0.56 H new ATOM 0 HB3 ASN A 49 -21.734 0.823 5.385 1.00 0.56 H new ATOM 0 HD21 ASN A 49 -24.548 2.429 7.918 1.00 1.23 H new ATOM 0 HD22 ASN A 49 -23.751 3.408 6.682 1.00 1.23 H new ATOM 491 N MET A 50 -18.438 1.027 6.745 1.00 0.40 N ATOM 492 CA MET A 50 -17.567 -0.149 7.034 1.00 0.50 C ATOM 493 C MET A 50 -16.179 0.352 7.434 1.00 0.58 C ATOM 494 O MET A 50 -15.181 -0.306 7.221 1.00 0.61 O ATOM 495 CB MET A 50 -17.450 -1.022 5.784 1.00 0.40 C ATOM 496 CG MET A 50 -18.545 -2.092 5.805 1.00 0.64 C ATOM 497 SD MET A 50 -19.653 -1.857 4.393 1.00 1.55 S ATOM 498 CE MET A 50 -19.219 -3.376 3.514 1.00 0.68 C ATOM 0 H MET A 50 -17.947 1.861 6.423 1.00 0.40 H new ATOM 0 HA MET A 50 -17.999 -0.738 7.843 1.00 0.50 H new ATOM 0 HB2 MET A 50 -17.544 -0.408 4.888 1.00 0.40 H new ATOM 0 HB3 MET A 50 -16.467 -1.492 5.747 1.00 0.40 H new ATOM 0 HG2 MET A 50 -18.097 -3.085 5.767 1.00 0.64 H new ATOM 0 HG3 MET A 50 -19.109 -2.031 6.736 1.00 0.64 H new ATOM 0 HE1 MET A 50 -19.846 -3.476 2.628 1.00 0.68 H new ATOM 0 HE2 MET A 50 -18.172 -3.336 3.214 1.00 0.68 H new ATOM 0 HE3 MET A 50 -19.377 -4.233 4.169 1.00 0.68 H new ATOM 660 N ASN A 62 -9.722 -8.730 6.624 1.00 1.09 N ATOM 661 CA ASN A 62 -8.299 -9.060 6.296 1.00 1.08 C ATOM 662 C ASN A 62 -8.191 -9.534 4.843 1.00 0.78 C ATOM 663 O ASN A 62 -8.605 -10.624 4.501 1.00 0.88 O ATOM 664 CB ASN A 62 -7.780 -10.161 7.232 1.00 1.21 C ATOM 665 CG ASN A 62 -8.269 -9.900 8.659 1.00 1.41 C ATOM 666 OD1 ASN A 62 -8.485 -8.767 9.042 1.00 1.40 O ATOM 667 ND2 ASN A 62 -8.454 -10.909 9.466 1.00 2.08 N ATOM 0 HA ASN A 62 -7.695 -8.162 6.429 1.00 1.08 H new ATOM 0 HB2 ASN A 62 -8.129 -11.136 6.891 1.00 1.21 H new ATOM 0 HB3 ASN A 62 -6.691 -10.186 7.210 1.00 1.21 H new ATOM 0 HD21 ASN A 62 -8.780 -10.747 10.419 1.00 2.08 H new ATOM 0 HD22 ASN A 62 -8.273 -11.860 9.144 1.00 2.08 H new ATOM 674 N LEU A 63 -7.624 -8.724 3.990 1.00 1.00 N ATOM 675 CA LEU A 63 -7.467 -9.118 2.561 1.00 0.70 C ATOM 676 C LEU A 63 -6.272 -10.063 2.435 1.00 0.52 C ATOM 677 O LEU A 63 -5.761 -10.563 3.418 1.00 0.74 O ATOM 678 CB LEU A 63 -7.228 -7.864 1.718 1.00 0.59 C ATOM 679 CG LEU A 63 -8.535 -7.453 1.039 1.00 0.38 C ATOM 680 CD1 LEU A 63 -8.393 -6.040 0.470 1.00 0.32 C ATOM 681 CD2 LEU A 63 -8.845 -8.430 -0.097 1.00 0.52 C ATOM 0 H LEU A 63 -7.261 -7.800 4.224 1.00 1.00 H new ATOM 0 HA LEU A 63 -8.367 -9.622 2.209 1.00 0.70 H new ATOM 0 HB2 LEU A 63 -6.862 -7.053 2.348 1.00 0.59 H new ATOM 0 HB3 LEU A 63 -6.461 -8.057 0.968 1.00 0.59 H new ATOM 0 HG LEU A 63 -9.345 -7.471 1.768 1.00 0.38 H new ATOM 0 HD11 LEU A 63 -9.325 -5.747 -0.014 1.00 0.32 H new ATOM 0 HD12 LEU A 63 -8.169 -5.343 1.278 1.00 0.32 H new ATOM 0 HD13 LEU A 63 -7.584 -6.021 -0.260 1.00 0.32 H new ATOM 0 HD21 LEU A 63 -9.776 -8.139 -0.583 1.00 0.52 H new ATOM 0 HD22 LEU A 63 -8.034 -8.410 -0.825 1.00 0.52 H new ATOM 0 HD23 LEU A 63 -8.945 -9.437 0.307 1.00 0.52 H new ATOM 693 N ASN A 64 -5.819 -10.320 1.239 1.00 0.25 N ATOM 694 CA ASN A 64 -4.659 -11.241 1.074 1.00 0.32 C ATOM 695 C ASN A 64 -3.430 -10.454 0.619 1.00 0.32 C ATOM 696 O ASN A 64 -2.870 -10.713 -0.427 1.00 0.54 O ATOM 697 CB ASN A 64 -4.994 -12.310 0.031 1.00 0.34 C ATOM 698 CG ASN A 64 -3.809 -13.267 -0.114 1.00 1.27 C ATOM 699 OD1 ASN A 64 -3.077 -13.492 0.829 1.00 1.84 O ATOM 700 ND2 ASN A 64 -3.590 -13.845 -1.263 1.00 1.78 N ATOM 0 H ASN A 64 -6.199 -9.935 0.374 1.00 0.25 H new ATOM 0 HA ASN A 64 -4.446 -11.719 2.030 1.00 0.32 H new ATOM 0 HB2 ASN A 64 -5.886 -12.860 0.332 1.00 0.34 H new ATOM 0 HB3 ASN A 64 -5.217 -11.841 -0.928 1.00 0.34 H new ATOM 0 HD21 ASN A 64 -2.804 -14.486 -1.370 1.00 1.78 H new ATOM 0 HD22 ASN A 64 -4.205 -13.656 -2.054 1.00 1.78 H new ATOM 707 N LEU A 65 -2.998 -9.502 1.401 1.00 0.68 N ATOM 708 CA LEU A 65 -1.797 -8.715 1.012 1.00 0.71 C ATOM 709 C LEU A 65 -0.859 -8.552 2.219 1.00 0.70 C ATOM 710 O LEU A 65 -0.483 -7.443 2.546 1.00 0.62 O ATOM 711 CB LEU A 65 -2.240 -7.337 0.516 1.00 0.67 C ATOM 712 CG LEU A 65 -2.953 -6.587 1.643 1.00 0.62 C ATOM 713 CD1 LEU A 65 -2.501 -5.127 1.646 1.00 0.47 C ATOM 714 CD2 LEU A 65 -4.465 -6.649 1.420 1.00 0.70 C ATOM 0 H LEU A 65 -3.424 -9.237 2.289 1.00 0.68 H new ATOM 0 HA LEU A 65 -1.263 -9.239 0.219 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -1.375 -6.767 0.177 1.00 0.67 H new ATOM 0 HB3 LEU A 65 -2.906 -7.445 -0.340 1.00 0.67 H new ATOM 0 HG LEU A 65 -2.707 -7.048 2.599 1.00 0.62 H new ATOM 0 HD11 LEU A 65 -3.008 -4.591 2.448 1.00 0.47 H new ATOM 0 HD12 LEU A 65 -1.423 -5.080 1.803 1.00 0.47 H new ATOM 0 HD13 LEU A 65 -2.749 -4.667 0.689 1.00 0.47 H new ATOM 0 HD21 LEU A 65 -4.973 -6.115 2.223 1.00 0.70 H new ATOM 0 HD22 LEU A 65 -4.711 -6.187 0.464 1.00 0.70 H new ATOM 0 HD23 LEU A 65 -4.790 -7.690 1.414 1.00 0.70 H new ATOM 726 N PRO A 66 -0.494 -9.653 2.851 1.00 1.35 N ATOM 727 CA PRO A 66 0.409 -9.620 4.017 1.00 1.44 C ATOM 728 C PRO A 66 1.857 -9.443 3.554 1.00 1.36 C ATOM 729 O PRO A 66 2.208 -9.790 2.443 1.00 1.83 O ATOM 730 CB PRO A 66 0.220 -10.994 4.664 1.00 2.44 C ATOM 731 CG PRO A 66 -0.309 -11.928 3.552 1.00 2.91 C ATOM 732 CD PRO A 66 -0.937 -11.022 2.478 1.00 2.20 C ATOM 0 HA PRO A 66 0.194 -8.799 4.701 1.00 1.44 H new ATOM 0 HB2 PRO A 66 1.161 -11.366 5.069 1.00 2.44 H new ATOM 0 HB3 PRO A 66 -0.485 -10.939 5.494 1.00 2.44 H new ATOM 0 HG2 PRO A 66 0.500 -12.525 3.131 1.00 2.91 H new ATOM 0 HG3 PRO A 66 -1.046 -12.625 3.950 1.00 2.91 H new ATOM 0 HD2 PRO A 66 -0.595 -11.293 1.479 1.00 2.20 H new ATOM 0 HD3 PRO A 66 -2.024 -11.102 2.476 1.00 2.20 H new ATOM 740 N LYS A 67 2.706 -8.912 4.394 1.00 1.22 N ATOM 741 CA LYS A 67 4.131 -8.724 3.991 1.00 1.74 C ATOM 742 C LYS A 67 4.869 -7.927 5.069 1.00 1.32 C ATOM 743 O LYS A 67 5.556 -6.965 4.786 1.00 1.38 O ATOM 744 CB LYS A 67 4.195 -7.967 2.661 1.00 2.20 C ATOM 745 CG LYS A 67 5.053 -8.750 1.665 1.00 3.34 C ATOM 746 CD LYS A 67 4.285 -8.931 0.354 1.00 3.65 C ATOM 747 CE LYS A 67 4.636 -10.288 -0.259 1.00 4.44 C ATOM 748 NZ LYS A 67 3.708 -11.326 0.269 1.00 3.62 N ATOM 0 H LYS A 67 2.476 -8.601 5.338 1.00 1.22 H new ATOM 0 HA LYS A 67 4.603 -9.699 3.875 1.00 1.74 H new ATOM 0 HB2 LYS A 67 3.190 -7.829 2.261 1.00 2.20 H new ATOM 0 HB3 LYS A 67 4.616 -6.974 2.816 1.00 2.20 H new ATOM 0 HG2 LYS A 67 5.988 -8.220 1.480 1.00 3.34 H new ATOM 0 HG3 LYS A 67 5.315 -9.723 2.082 1.00 3.34 H new ATOM 0 HD2 LYS A 67 3.212 -8.869 0.537 1.00 3.65 H new ATOM 0 HD3 LYS A 67 4.537 -8.130 -0.341 1.00 3.65 H new ATOM 0 HE2 LYS A 67 4.563 -10.238 -1.345 1.00 4.44 H new ATOM 0 HE3 LYS A 67 5.667 -10.551 -0.021 1.00 4.44 H new ATOM 0 HZ1 LYS A 67 4.258 -12.125 0.644 1.00 3.62 H new ATOM 0 HZ2 LYS A 67 3.127 -10.918 1.029 1.00 3.62 H new ATOM 0 HZ3 LYS A 67 3.090 -11.661 -0.497 1.00 3.62 H new ATOM 762 N MET A 68 4.739 -8.324 6.303 1.00 1.50 N ATOM 763 CA MET A 68 5.437 -7.593 7.398 1.00 1.05 C ATOM 764 C MET A 68 5.112 -8.251 8.741 1.00 1.08 C ATOM 765 O MET A 68 4.396 -9.230 8.804 1.00 1.76 O ATOM 766 CB MET A 68 4.973 -6.135 7.417 1.00 0.67 C ATOM 767 CG MET A 68 6.145 -5.231 7.810 1.00 0.66 C ATOM 768 SD MET A 68 6.435 -4.005 6.509 1.00 0.98 S ATOM 769 CE MET A 68 7.309 -2.792 7.529 1.00 0.61 C ATOM 0 H MET A 68 4.180 -9.123 6.602 1.00 1.50 H new ATOM 0 HA MET A 68 6.513 -7.628 7.228 1.00 1.05 H new ATOM 0 HB2 MET A 68 4.593 -5.850 6.436 1.00 0.67 H new ATOM 0 HB3 MET A 68 4.152 -6.013 8.124 1.00 0.67 H new ATOM 0 HG2 MET A 68 5.929 -4.730 8.754 1.00 0.66 H new ATOM 0 HG3 MET A 68 7.042 -5.830 7.965 1.00 0.66 H new ATOM 0 HE1 MET A 68 7.353 -1.838 7.003 1.00 0.61 H new ATOM 0 HE2 MET A 68 6.780 -2.662 8.473 1.00 0.61 H new ATOM 0 HE3 MET A 68 8.322 -3.144 7.726 1.00 0.61 H new ATOM 779 N ALA A 69 5.630 -7.721 9.815 1.00 0.49 N ATOM 780 CA ALA A 69 5.346 -8.319 11.150 1.00 0.46 C ATOM 781 C ALA A 69 6.121 -7.559 12.229 1.00 0.61 C ATOM 782 O ALA A 69 6.661 -6.497 11.989 1.00 1.07 O ATOM 783 CB ALA A 69 5.778 -9.788 11.151 1.00 1.20 C ATOM 0 H ALA A 69 6.237 -6.901 9.826 1.00 0.49 H new ATOM 0 HA ALA A 69 4.278 -8.252 11.358 1.00 0.46 H new ATOM 0 HB1 ALA A 69 5.571 -10.227 12.127 1.00 1.20 H new ATOM 0 HB2 ALA A 69 5.225 -10.330 10.384 1.00 1.20 H new ATOM 0 HB3 ALA A 69 6.846 -9.853 10.943 1.00 1.20 H new ATOM 789 N GLU A 70 6.182 -8.097 13.416 1.00 0.75 N ATOM 790 CA GLU A 70 6.924 -7.407 14.509 1.00 1.34 C ATOM 791 C GLU A 70 8.233 -8.143 14.776 1.00 1.84 C ATOM 792 O GLU A 70 9.244 -7.542 15.079 1.00 2.13 O ATOM 793 CB GLU A 70 6.074 -7.398 15.781 1.00 1.85 C ATOM 794 CG GLU A 70 4.860 -6.491 15.574 1.00 2.95 C ATOM 795 CD GLU A 70 5.092 -5.155 16.281 1.00 3.94 C ATOM 796 OE1 GLU A 70 5.222 -5.163 17.494 1.00 4.25 O ATOM 797 OE2 GLU A 70 5.135 -4.145 15.597 1.00 4.69 O ATOM 0 H GLU A 70 5.751 -8.984 13.676 1.00 0.75 H new ATOM 0 HA GLU A 70 7.137 -6.381 14.211 1.00 1.34 H new ATOM 0 HB2 GLU A 70 5.749 -8.410 16.022 1.00 1.85 H new ATOM 0 HB3 GLU A 70 6.666 -7.044 16.625 1.00 1.85 H new ATOM 0 HG2 GLU A 70 4.693 -6.327 14.509 1.00 2.95 H new ATOM 0 HG3 GLU A 70 3.964 -6.971 15.967 1.00 2.95 H new ATOM 804 N LYS A 71 8.225 -9.439 14.664 1.00 2.11 N ATOM 805 CA LYS A 71 9.469 -10.212 14.908 1.00 2.78 C ATOM 806 C LYS A 71 10.265 -10.353 13.603 1.00 2.47 C ATOM 807 O LYS A 71 11.285 -11.011 13.561 1.00 2.65 O ATOM 808 CB LYS A 71 9.100 -11.597 15.436 1.00 3.61 C ATOM 809 CG LYS A 71 8.292 -12.352 14.377 1.00 2.60 C ATOM 810 CD LYS A 71 7.131 -13.086 15.048 1.00 3.64 C ATOM 811 CE LYS A 71 5.825 -12.335 14.782 1.00 4.23 C ATOM 812 NZ LYS A 71 4.806 -12.747 15.788 1.00 5.49 N ATOM 0 H LYS A 71 7.409 -9.997 14.413 1.00 2.11 H new ATOM 0 HA LYS A 71 10.083 -9.688 15.641 1.00 2.78 H new ATOM 0 HB2 LYS A 71 10.003 -12.155 15.685 1.00 3.61 H new ATOM 0 HB3 LYS A 71 8.519 -11.505 16.354 1.00 3.61 H new ATOM 0 HG2 LYS A 71 7.912 -11.656 13.629 1.00 2.60 H new ATOM 0 HG3 LYS A 71 8.932 -13.063 13.854 1.00 2.60 H new ATOM 0 HD2 LYS A 71 7.061 -14.104 14.665 1.00 3.64 H new ATOM 0 HD3 LYS A 71 7.307 -13.161 16.121 1.00 3.64 H new ATOM 0 HE2 LYS A 71 5.993 -11.259 14.837 1.00 4.23 H new ATOM 0 HE3 LYS A 71 5.467 -12.550 13.775 1.00 4.23 H new ATOM 0 HZ1 LYS A 71 3.917 -12.238 15.610 1.00 5.49 H new ATOM 0 HZ2 LYS A 71 4.640 -13.771 15.714 1.00 5.49 H new ATOM 0 HZ3 LYS A 71 5.149 -12.520 16.743 1.00 5.49 H new ATOM 826 N ASP A 72 9.813 -9.741 12.540 1.00 2.14 N ATOM 827 CA ASP A 72 10.547 -9.846 11.248 1.00 2.10 C ATOM 828 C ASP A 72 9.949 -8.851 10.253 1.00 1.13 C ATOM 829 O ASP A 72 9.542 -9.216 9.168 1.00 2.10 O ATOM 830 CB ASP A 72 10.406 -11.266 10.692 1.00 3.50 C ATOM 831 CG ASP A 72 11.589 -12.121 11.151 1.00 5.16 C ATOM 832 OD1 ASP A 72 12.658 -11.567 11.341 1.00 5.20 O ATOM 833 OD2 ASP A 72 11.404 -13.318 11.307 1.00 6.60 O ATOM 0 H ASP A 72 8.966 -9.173 12.512 1.00 2.14 H new ATOM 0 HA ASP A 72 11.602 -9.623 11.406 1.00 2.10 H new ATOM 0 HB2 ASP A 72 9.471 -11.709 11.034 1.00 3.50 H new ATOM 0 HB3 ASP A 72 10.366 -11.238 9.603 1.00 3.50 H new ATOM 838 N GLY A 73 9.886 -7.597 10.612 1.00 0.84 N ATOM 839 CA GLY A 73 9.302 -6.590 9.682 1.00 2.54 C ATOM 840 C GLY A 73 10.113 -5.294 9.732 1.00 1.78 C ATOM 841 O GLY A 73 10.687 -4.874 8.747 1.00 2.55 O ATOM 0 H GLY A 73 10.212 -7.228 11.505 1.00 0.84 H new ATOM 0 HA2 GLY A 73 9.294 -6.984 8.666 1.00 2.54 H new ATOM 0 HA3 GLY A 73 8.266 -6.390 9.954 1.00 2.54 H new ATOM 845 N CYS A 74 10.160 -4.649 10.866 1.00 0.59 N ATOM 846 CA CYS A 74 10.928 -3.375 10.962 1.00 0.44 C ATOM 847 C CYS A 74 10.866 -2.834 12.392 1.00 0.71 C ATOM 848 O CYS A 74 10.362 -1.756 12.639 1.00 0.87 O ATOM 849 CB CYS A 74 10.318 -2.354 10.003 1.00 1.14 C ATOM 850 SG CYS A 74 11.635 -1.588 9.036 1.00 2.18 S ATOM 0 H CYS A 74 9.702 -4.948 11.727 1.00 0.59 H new ATOM 0 HA CYS A 74 11.970 -3.557 10.698 1.00 0.44 H new ATOM 0 HB2 CYS A 74 9.601 -2.841 9.342 1.00 1.14 H new ATOM 0 HB3 CYS A 74 9.771 -1.594 10.561 1.00 1.14 H new ATOM 855 N PHE A 75 11.374 -3.570 13.338 1.00 0.82 N ATOM 856 CA PHE A 75 11.339 -3.091 14.748 1.00 1.10 C ATOM 857 C PHE A 75 12.476 -3.746 15.534 1.00 1.16 C ATOM 858 O PHE A 75 13.022 -4.752 15.127 1.00 1.36 O ATOM 859 CB PHE A 75 9.996 -3.465 15.379 1.00 1.00 C ATOM 860 CG PHE A 75 8.872 -2.945 14.514 1.00 1.09 C ATOM 861 CD1 PHE A 75 8.386 -1.645 14.704 1.00 1.73 C ATOM 862 CD2 PHE A 75 8.312 -3.764 13.525 1.00 0.88 C ATOM 863 CE1 PHE A 75 7.340 -1.166 13.908 1.00 1.89 C ATOM 864 CE2 PHE A 75 7.267 -3.283 12.727 1.00 0.95 C ATOM 865 CZ PHE A 75 6.781 -1.984 12.919 1.00 1.37 C ATOM 0 H PHE A 75 11.811 -4.481 13.198 1.00 0.82 H new ATOM 0 HA PHE A 75 11.460 -2.008 14.770 1.00 1.10 H new ATOM 0 HB2 PHE A 75 9.919 -4.547 15.482 1.00 1.00 H new ATOM 0 HB3 PHE A 75 9.923 -3.043 16.381 1.00 1.00 H new ATOM 0 HD1 PHE A 75 8.819 -1.013 15.465 1.00 1.73 H new ATOM 0 HD2 PHE A 75 8.686 -4.766 13.378 1.00 0.88 H new ATOM 0 HE1 PHE A 75 6.964 -0.165 14.057 1.00 1.89 H new ATOM 0 HE2 PHE A 75 6.836 -3.914 11.964 1.00 0.95 H new ATOM 0 HZ PHE A 75 5.975 -1.613 12.304 1.00 1.37 H new ATOM 875 N GLN A 76 12.839 -3.183 16.659 1.00 1.34 N ATOM 876 CA GLN A 76 13.947 -3.769 17.475 1.00 1.45 C ATOM 877 C GLN A 76 13.752 -5.281 17.625 1.00 1.07 C ATOM 878 O GLN A 76 14.696 -6.026 17.793 1.00 1.24 O ATOM 879 CB GLN A 76 13.955 -3.123 18.861 1.00 1.76 C ATOM 880 CG GLN A 76 15.121 -3.685 19.677 1.00 2.44 C ATOM 881 CD GLN A 76 15.335 -2.826 20.925 1.00 2.81 C ATOM 882 OE1 GLN A 76 15.411 -3.337 22.025 1.00 3.78 O ATOM 883 NE2 GLN A 76 15.440 -1.532 20.799 1.00 2.42 N ATOM 0 H GLN A 76 12.415 -2.341 17.049 1.00 1.34 H new ATOM 0 HA GLN A 76 14.895 -3.579 16.971 1.00 1.45 H new ATOM 0 HB2 GLN A 76 14.049 -2.041 18.769 1.00 1.76 H new ATOM 0 HB3 GLN A 76 13.012 -3.319 19.371 1.00 1.76 H new ATOM 0 HG2 GLN A 76 14.914 -4.716 19.964 1.00 2.44 H new ATOM 0 HG3 GLN A 76 16.028 -3.699 19.073 1.00 2.44 H new ATOM 0 HE21 GLN A 76 15.376 -1.103 19.876 1.00 2.42 H new ATOM 0 HE22 GLN A 76 15.586 -0.949 21.623 1.00 2.42 H new ATOM 892 N SER A 77 12.532 -5.738 17.560 1.00 0.69 N ATOM 893 CA SER A 77 12.278 -7.199 17.695 1.00 0.72 C ATOM 894 C SER A 77 12.938 -7.939 16.532 1.00 0.89 C ATOM 895 O SER A 77 13.653 -8.903 16.722 1.00 1.52 O ATOM 896 CB SER A 77 10.771 -7.457 17.675 1.00 0.71 C ATOM 897 OG SER A 77 10.380 -8.045 18.909 1.00 0.78 O ATOM 0 H SER A 77 11.701 -5.163 17.419 1.00 0.69 H new ATOM 0 HA SER A 77 12.695 -7.556 18.636 1.00 0.72 H new ATOM 0 HB2 SER A 77 10.232 -6.523 17.517 1.00 0.71 H new ATOM 0 HB3 SER A 77 10.514 -8.117 16.847 1.00 0.71 H new ATOM 0 HG SER A 77 9.414 -8.210 18.901 1.00 0.78 H new ATOM 903 N GLY A 78 12.702 -7.499 15.327 1.00 1.89 N ATOM 904 CA GLY A 78 13.317 -8.182 14.155 1.00 2.11 C ATOM 905 C GLY A 78 13.661 -7.153 13.074 1.00 1.79 C ATOM 906 O GLY A 78 13.224 -7.258 11.946 1.00 1.97 O ATOM 0 H GLY A 78 12.111 -6.698 15.104 1.00 1.89 H new ATOM 0 HA2 GLY A 78 14.217 -8.713 14.464 1.00 2.11 H new ATOM 0 HA3 GLY A 78 12.629 -8.927 13.755 1.00 2.11 H new ATOM 910 N PHE A 79 14.450 -6.165 13.404 1.00 1.41 N ATOM 911 CA PHE A 79 14.827 -5.144 12.388 1.00 1.16 C ATOM 912 C PHE A 79 16.091 -5.612 11.667 1.00 0.95 C ATOM 913 O PHE A 79 17.188 -5.197 11.987 1.00 0.75 O ATOM 914 CB PHE A 79 15.100 -3.808 13.081 1.00 1.00 C ATOM 915 CG PHE A 79 14.955 -2.676 12.091 1.00 0.85 C ATOM 916 CD1 PHE A 79 15.841 -2.563 11.012 1.00 1.87 C ATOM 917 CD2 PHE A 79 13.931 -1.734 12.255 1.00 2.21 C ATOM 918 CE1 PHE A 79 15.702 -1.510 10.099 1.00 1.72 C ATOM 919 CE2 PHE A 79 13.793 -0.682 11.343 1.00 2.27 C ATOM 920 CZ PHE A 79 14.677 -0.569 10.266 1.00 0.67 C ATOM 0 H PHE A 79 14.848 -6.022 14.332 1.00 1.41 H new ATOM 0 HA PHE A 79 14.015 -5.016 11.672 1.00 1.16 H new ATOM 0 HB2 PHE A 79 14.405 -3.669 13.909 1.00 1.00 H new ATOM 0 HB3 PHE A 79 16.105 -3.806 13.504 1.00 1.00 H new ATOM 0 HD1 PHE A 79 16.631 -3.288 10.884 1.00 1.87 H new ATOM 0 HD2 PHE A 79 13.247 -1.820 13.087 1.00 2.21 H new ATOM 0 HE1 PHE A 79 16.385 -1.423 9.267 1.00 1.72 H new ATOM 0 HE2 PHE A 79 13.003 0.043 11.471 1.00 2.27 H new ATOM 0 HZ PHE A 79 14.570 0.244 9.563 1.00 0.67 H new ATOM 930 N ASN A 80 15.951 -6.482 10.704 1.00 1.33 N ATOM 931 CA ASN A 80 17.150 -6.986 9.977 1.00 1.37 C ATOM 932 C ASN A 80 17.544 -6.024 8.854 1.00 1.58 C ATOM 933 O ASN A 80 18.381 -6.338 8.035 1.00 2.99 O ATOM 934 CB ASN A 80 16.847 -8.366 9.389 1.00 1.54 C ATOM 935 CG ASN A 80 17.956 -9.345 9.783 1.00 1.66 C ATOM 936 OD1 ASN A 80 18.315 -9.438 10.941 1.00 1.82 O ATOM 937 ND2 ASN A 80 18.517 -10.082 8.865 1.00 2.22 N ATOM 0 H ASN A 80 15.059 -6.865 10.390 1.00 1.33 H new ATOM 0 HA ASN A 80 17.980 -7.059 10.679 1.00 1.37 H new ATOM 0 HB2 ASN A 80 15.884 -8.725 9.754 1.00 1.54 H new ATOM 0 HB3 ASN A 80 16.773 -8.302 8.303 1.00 1.54 H new ATOM 0 HD21 ASN A 80 19.257 -10.737 9.118 1.00 2.22 H new ATOM 0 HD22 ASN A 80 18.216 -10.004 7.894 1.00 2.22 H new ATOM 944 N GLU A 81 16.965 -4.853 8.816 1.00 0.62 N ATOM 945 CA GLU A 81 17.322 -3.870 7.757 1.00 0.62 C ATOM 946 C GLU A 81 17.014 -4.440 6.367 1.00 0.69 C ATOM 947 O GLU A 81 15.949 -4.228 5.827 1.00 0.96 O ATOM 948 CB GLU A 81 18.810 -3.524 7.862 1.00 0.76 C ATOM 949 CG GLU A 81 19.078 -2.848 9.210 1.00 0.81 C ATOM 950 CD GLU A 81 19.819 -3.807 10.150 1.00 2.44 C ATOM 951 OE1 GLU A 81 20.076 -4.930 9.748 1.00 3.61 O ATOM 952 OE2 GLU A 81 20.117 -3.399 11.260 1.00 2.55 O ATOM 0 H GLU A 81 16.257 -4.536 9.478 1.00 0.62 H new ATOM 0 HA GLU A 81 16.727 -2.967 7.898 1.00 0.62 H new ATOM 0 HB2 GLU A 81 19.413 -4.427 7.769 1.00 0.76 H new ATOM 0 HB3 GLU A 81 19.100 -2.862 7.046 1.00 0.76 H new ATOM 0 HG2 GLU A 81 19.670 -1.945 9.060 1.00 0.81 H new ATOM 0 HG3 GLU A 81 18.136 -2.540 9.663 1.00 0.81 H new ATOM 959 N GLU A 82 17.939 -5.148 5.775 1.00 0.46 N ATOM 960 CA GLU A 82 17.701 -5.715 4.422 1.00 0.50 C ATOM 961 C GLU A 82 16.377 -6.486 4.390 1.00 0.43 C ATOM 962 O GLU A 82 15.770 -6.634 3.351 1.00 0.39 O ATOM 963 CB GLU A 82 18.847 -6.666 4.082 1.00 0.64 C ATOM 964 CG GLU A 82 19.718 -6.055 2.983 1.00 0.77 C ATOM 965 CD GLU A 82 21.194 -6.232 3.348 1.00 2.30 C ATOM 966 OE1 GLU A 82 21.567 -7.336 3.708 1.00 2.52 O ATOM 967 OE2 GLU A 82 21.926 -5.259 3.263 1.00 3.50 O ATOM 0 H GLU A 82 18.853 -5.357 6.176 1.00 0.46 H new ATOM 0 HA GLU A 82 17.650 -4.904 3.695 1.00 0.50 H new ATOM 0 HB2 GLU A 82 19.448 -6.858 4.971 1.00 0.64 H new ATOM 0 HB3 GLU A 82 18.450 -7.626 3.752 1.00 0.64 H new ATOM 0 HG2 GLU A 82 19.508 -6.536 2.028 1.00 0.77 H new ATOM 0 HG3 GLU A 82 19.485 -4.997 2.865 1.00 0.77 H new ATOM 974 N THR A 83 15.918 -6.976 5.510 1.00 0.41 N ATOM 975 CA THR A 83 14.635 -7.734 5.510 1.00 0.38 C ATOM 976 C THR A 83 13.477 -6.747 5.424 1.00 0.23 C ATOM 977 O THR A 83 12.496 -6.978 4.744 1.00 0.16 O ATOM 978 CB THR A 83 14.514 -8.551 6.800 1.00 0.44 C ATOM 979 OG1 THR A 83 15.581 -9.487 6.872 1.00 0.64 O ATOM 980 CG2 THR A 83 13.180 -9.298 6.812 1.00 0.58 C ATOM 0 H THR A 83 16.372 -6.885 6.419 1.00 0.41 H new ATOM 0 HA THR A 83 14.611 -8.411 4.656 1.00 0.38 H new ATOM 0 HB THR A 83 14.561 -7.880 7.657 1.00 0.44 H new ATOM 0 HG1 THR A 83 15.504 -10.008 7.698 1.00 0.64 H new ATOM 0 HG21 THR A 83 13.096 -9.879 7.731 1.00 0.58 H new ATOM 0 HG22 THR A 83 12.361 -8.581 6.760 1.00 0.58 H new ATOM 0 HG23 THR A 83 13.130 -9.968 5.954 1.00 0.58 H new ATOM 988 N CYS A 84 13.585 -5.648 6.111 1.00 0.20 N ATOM 989 CA CYS A 84 12.496 -4.640 6.080 1.00 0.06 C ATOM 990 C CYS A 84 12.362 -4.076 4.664 1.00 0.15 C ATOM 991 O CYS A 84 11.302 -4.099 4.066 1.00 0.21 O ATOM 992 CB CYS A 84 12.833 -3.510 7.052 1.00 0.15 C ATOM 993 SG CYS A 84 11.422 -2.389 7.196 1.00 1.10 S ATOM 0 H CYS A 84 14.385 -5.404 6.695 1.00 0.20 H new ATOM 0 HA CYS A 84 11.555 -5.106 6.372 1.00 0.06 H new ATOM 0 HB2 CYS A 84 13.084 -3.921 8.030 1.00 0.15 H new ATOM 0 HB3 CYS A 84 13.709 -2.964 6.701 1.00 0.15 H new ATOM 998 N LEU A 85 13.433 -3.568 4.129 1.00 0.19 N ATOM 999 CA LEU A 85 13.396 -2.993 2.756 1.00 0.29 C ATOM 1000 C LEU A 85 12.886 -4.043 1.762 1.00 0.34 C ATOM 1001 O LEU A 85 12.159 -3.728 0.842 1.00 0.35 O ATOM 1002 CB LEU A 85 14.811 -2.559 2.368 1.00 0.38 C ATOM 1003 CG LEU A 85 14.770 -1.718 1.093 1.00 0.57 C ATOM 1004 CD1 LEU A 85 14.307 -0.298 1.425 1.00 0.59 C ATOM 1005 CD2 LEU A 85 16.172 -1.664 0.483 1.00 0.89 C ATOM 0 H LEU A 85 14.343 -3.525 4.588 1.00 0.19 H new ATOM 0 HA LEU A 85 12.724 -2.135 2.734 1.00 0.29 H new ATOM 0 HB2 LEU A 85 15.259 -1.984 3.178 1.00 0.38 H new ATOM 0 HB3 LEU A 85 15.440 -3.436 2.215 1.00 0.38 H new ATOM 0 HG LEU A 85 14.074 -2.167 0.384 1.00 0.57 H new ATOM 0 HD11 LEU A 85 14.279 0.298 0.513 1.00 0.59 H new ATOM 0 HD12 LEU A 85 13.311 -0.334 1.866 1.00 0.59 H new ATOM 0 HD13 LEU A 85 15.001 0.155 2.133 1.00 0.59 H new ATOM 0 HD21 LEU A 85 16.150 -1.065 -0.428 1.00 0.89 H new ATOM 0 HD22 LEU A 85 16.862 -1.214 1.197 1.00 0.89 H new ATOM 0 HD23 LEU A 85 16.504 -2.674 0.245 1.00 0.89 H new ATOM 1017 N VAL A 86 13.257 -5.286 1.931 1.00 0.39 N ATOM 1018 CA VAL A 86 12.779 -6.336 0.984 1.00 0.47 C ATOM 1019 C VAL A 86 11.246 -6.374 1.013 1.00 0.35 C ATOM 1020 O VAL A 86 10.592 -6.409 -0.017 1.00 0.39 O ATOM 1021 CB VAL A 86 13.361 -7.699 1.392 1.00 0.59 C ATOM 1022 CG1 VAL A 86 12.707 -8.825 0.584 1.00 0.61 C ATOM 1023 CG2 VAL A 86 14.865 -7.705 1.117 1.00 0.71 C ATOM 0 H VAL A 86 13.866 -5.617 2.679 1.00 0.39 H new ATOM 0 HA VAL A 86 13.110 -6.107 -0.029 1.00 0.47 H new ATOM 0 HB VAL A 86 13.167 -7.860 2.452 1.00 0.59 H new ATOM 0 HG11 VAL A 86 13.131 -9.783 0.886 1.00 0.61 H new ATOM 0 HG12 VAL A 86 11.633 -8.829 0.769 1.00 0.61 H new ATOM 0 HG13 VAL A 86 12.892 -8.665 -0.478 1.00 0.61 H new ATOM 0 HG21 VAL A 86 15.284 -8.669 1.404 1.00 0.71 H new ATOM 0 HG22 VAL A 86 15.041 -7.535 0.055 1.00 0.71 H new ATOM 0 HG23 VAL A 86 15.344 -6.915 1.695 1.00 0.71 H new ATOM 1033 N LYS A 87 10.668 -6.357 2.184 1.00 0.27 N ATOM 1034 CA LYS A 87 9.183 -6.380 2.280 1.00 0.28 C ATOM 1035 C LYS A 87 8.626 -5.097 1.661 1.00 0.16 C ATOM 1036 O LYS A 87 7.488 -5.042 1.244 1.00 0.26 O ATOM 1037 CB LYS A 87 8.763 -6.465 3.750 1.00 0.38 C ATOM 1038 CG LYS A 87 9.124 -7.845 4.302 1.00 0.60 C ATOM 1039 CD LYS A 87 8.322 -8.921 3.565 1.00 0.16 C ATOM 1040 CE LYS A 87 7.857 -9.984 4.563 1.00 0.40 C ATOM 1041 NZ LYS A 87 7.933 -11.333 3.932 1.00 0.53 N ATOM 0 H LYS A 87 11.161 -6.328 3.077 1.00 0.27 H new ATOM 0 HA LYS A 87 8.793 -7.247 1.747 1.00 0.28 H new ATOM 0 HB2 LYS A 87 9.263 -5.688 4.328 1.00 0.38 H new ATOM 0 HB3 LYS A 87 7.691 -6.293 3.844 1.00 0.38 H new ATOM 0 HG2 LYS A 87 10.192 -8.027 4.182 1.00 0.60 H new ATOM 0 HG3 LYS A 87 8.912 -7.887 5.370 1.00 0.60 H new ATOM 0 HD2 LYS A 87 7.462 -8.472 3.068 1.00 0.16 H new ATOM 0 HD3 LYS A 87 8.935 -9.379 2.789 1.00 0.16 H new ATOM 0 HE2 LYS A 87 8.480 -9.954 5.457 1.00 0.40 H new ATOM 0 HE3 LYS A 87 6.835 -9.777 4.880 1.00 0.40 H new ATOM 0 HZ1 LYS A 87 7.616 -12.053 4.613 1.00 0.53 H new ATOM 0 HZ2 LYS A 87 7.321 -11.358 3.092 1.00 0.53 H new ATOM 0 HZ3 LYS A 87 8.915 -11.530 3.651 1.00 0.53 H new ATOM 1055 N ILE A 88 9.423 -4.064 1.596 1.00 0.14 N ATOM 1056 CA ILE A 88 8.942 -2.790 0.994 1.00 0.31 C ATOM 1057 C ILE A 88 8.928 -2.933 -0.532 1.00 0.31 C ATOM 1058 O ILE A 88 8.141 -2.308 -1.215 1.00 0.42 O ATOM 1059 CB ILE A 88 9.883 -1.648 1.393 1.00 0.50 C ATOM 1060 CG1 ILE A 88 9.832 -1.448 2.910 1.00 0.53 C ATOM 1061 CG2 ILE A 88 9.450 -0.355 0.698 1.00 0.54 C ATOM 1062 CD1 ILE A 88 8.414 -1.053 3.331 1.00 0.44 C ATOM 0 H ILE A 88 10.385 -4.049 1.934 1.00 0.14 H new ATOM 0 HA ILE A 88 7.937 -2.569 1.353 1.00 0.31 H new ATOM 0 HB ILE A 88 10.900 -1.900 1.091 1.00 0.50 H new ATOM 0 HG12 ILE A 88 10.130 -2.365 3.418 1.00 0.53 H new ATOM 0 HG13 ILE A 88 10.539 -0.674 3.208 1.00 0.53 H new ATOM 0 HG21 ILE A 88 10.122 0.454 0.984 1.00 0.54 H new ATOM 0 HG22 ILE A 88 9.488 -0.493 -0.383 1.00 0.54 H new ATOM 0 HG23 ILE A 88 8.432 -0.105 0.997 1.00 0.54 H new ATOM 0 HD11 ILE A 88 8.381 -0.911 4.411 1.00 0.44 H new ATOM 0 HD12 ILE A 88 8.133 -0.124 2.835 1.00 0.44 H new ATOM 0 HD13 ILE A 88 7.717 -1.842 3.047 1.00 0.44 H new ATOM 1074 N ILE A 89 9.791 -3.753 -1.074 1.00 0.35 N ATOM 1075 CA ILE A 89 9.816 -3.936 -2.554 1.00 0.46 C ATOM 1076 C ILE A 89 8.610 -4.788 -2.962 1.00 0.36 C ATOM 1077 O ILE A 89 7.688 -4.303 -3.585 1.00 0.23 O ATOM 1078 CB ILE A 89 11.124 -4.624 -2.969 1.00 0.62 C ATOM 1079 CG1 ILE A 89 12.312 -3.851 -2.388 1.00 0.76 C ATOM 1080 CG2 ILE A 89 11.255 -4.656 -4.500 1.00 0.57 C ATOM 1081 CD1 ILE A 89 12.275 -2.404 -2.886 1.00 1.06 C ATOM 0 H ILE A 89 10.477 -4.302 -0.556 1.00 0.35 H new ATOM 0 HA ILE A 89 9.763 -2.969 -3.054 1.00 0.46 H new ATOM 0 HB ILE A 89 11.114 -5.646 -2.589 1.00 0.62 H new ATOM 0 HG12 ILE A 89 12.275 -3.873 -1.299 1.00 0.76 H new ATOM 0 HG13 ILE A 89 13.248 -4.325 -2.685 1.00 0.76 H new ATOM 0 HG21 ILE A 89 12.188 -5.147 -4.775 1.00 0.57 H new ATOM 0 HG22 ILE A 89 10.416 -5.206 -4.926 1.00 0.57 H new ATOM 0 HG23 ILE A 89 11.254 -3.637 -4.887 1.00 0.57 H new ATOM 0 HD11 ILE A 89 13.121 -1.855 -2.472 1.00 1.06 H new ATOM 0 HD12 ILE A 89 12.333 -2.392 -3.974 1.00 1.06 H new ATOM 0 HD13 ILE A 89 11.345 -1.933 -2.567 1.00 1.06 H new ATOM 1093 N THR A 90 8.586 -6.048 -2.598 1.00 0.46 N ATOM 1094 CA THR A 90 7.407 -6.893 -2.967 1.00 0.45 C ATOM 1095 C THR A 90 6.161 -6.315 -2.305 1.00 0.25 C ATOM 1096 O THR A 90 5.057 -6.454 -2.795 1.00 0.33 O ATOM 1097 CB THR A 90 7.600 -8.334 -2.482 1.00 0.67 C ATOM 1098 OG1 THR A 90 6.400 -9.065 -2.696 1.00 1.95 O ATOM 1099 CG2 THR A 90 7.939 -8.341 -0.991 1.00 0.96 C ATOM 0 H THR A 90 9.319 -6.522 -2.070 1.00 0.46 H new ATOM 0 HA THR A 90 7.302 -6.897 -4.052 1.00 0.45 H new ATOM 0 HB THR A 90 8.418 -8.794 -3.037 1.00 0.67 H new ATOM 0 HG1 THR A 90 6.520 -9.988 -2.388 1.00 1.95 H new ATOM 0 HG21 THR A 90 8.075 -9.369 -0.654 1.00 0.96 H new ATOM 0 HG22 THR A 90 8.858 -7.780 -0.824 1.00 0.96 H new ATOM 0 HG23 THR A 90 7.126 -7.880 -0.431 1.00 0.96 H new ATOM 1107 N GLY A 91 6.334 -5.667 -1.189 1.00 0.25 N ATOM 1108 CA GLY A 91 5.170 -5.075 -0.479 1.00 0.22 C ATOM 1109 C GLY A 91 4.525 -4.007 -1.360 1.00 0.21 C ATOM 1110 O GLY A 91 3.320 -3.941 -1.487 1.00 0.28 O ATOM 0 H GLY A 91 7.236 -5.522 -0.736 1.00 0.25 H new ATOM 0 HA2 GLY A 91 4.443 -5.851 -0.239 1.00 0.22 H new ATOM 0 HA3 GLY A 91 5.491 -4.637 0.466 1.00 0.22 H new ATOM 1114 N LEU A 92 5.319 -3.167 -1.965 1.00 0.19 N ATOM 1115 CA LEU A 92 4.749 -2.098 -2.831 1.00 0.19 C ATOM 1116 C LEU A 92 4.260 -2.703 -4.153 1.00 0.26 C ATOM 1117 O LEU A 92 3.454 -2.116 -4.842 1.00 0.19 O ATOM 1118 CB LEU A 92 5.822 -1.043 -3.117 1.00 0.15 C ATOM 1119 CG LEU A 92 5.849 -0.017 -1.981 1.00 0.15 C ATOM 1120 CD1 LEU A 92 7.164 0.764 -2.029 1.00 0.15 C ATOM 1121 CD2 LEU A 92 4.675 0.953 -2.143 1.00 0.24 C ATOM 0 H LEU A 92 6.337 -3.175 -1.897 1.00 0.19 H new ATOM 0 HA LEU A 92 3.908 -1.632 -2.317 1.00 0.19 H new ATOM 0 HB2 LEU A 92 6.798 -1.519 -3.214 1.00 0.15 H new ATOM 0 HB3 LEU A 92 5.614 -0.546 -4.065 1.00 0.15 H new ATOM 0 HG LEU A 92 5.767 -0.532 -1.024 1.00 0.15 H new ATOM 0 HD11 LEU A 92 7.183 1.494 -1.220 1.00 0.15 H new ATOM 0 HD12 LEU A 92 8.001 0.075 -1.915 1.00 0.15 H new ATOM 0 HD13 LEU A 92 7.246 1.280 -2.986 1.00 0.15 H new ATOM 0 HD21 LEU A 92 4.693 1.684 -1.335 1.00 0.24 H new ATOM 0 HD22 LEU A 92 4.758 1.468 -3.100 1.00 0.24 H new ATOM 0 HD23 LEU A 92 3.737 0.398 -2.110 1.00 0.24 H new ATOM 1133 N LEU A 93 4.734 -3.871 -4.513 1.00 0.41 N ATOM 1134 CA LEU A 93 4.268 -4.497 -5.791 1.00 0.48 C ATOM 1135 C LEU A 93 2.795 -4.897 -5.624 1.00 0.43 C ATOM 1136 O LEU A 93 1.917 -4.476 -6.371 1.00 0.39 O ATOM 1137 CB LEU A 93 5.107 -5.750 -6.096 1.00 0.65 C ATOM 1138 CG LEU A 93 6.565 -5.357 -6.352 1.00 0.71 C ATOM 1139 CD1 LEU A 93 7.427 -6.618 -6.463 1.00 0.89 C ATOM 1140 CD2 LEU A 93 6.654 -4.563 -7.656 1.00 0.57 C ATOM 0 H LEU A 93 5.416 -4.414 -3.984 1.00 0.41 H new ATOM 0 HA LEU A 93 4.379 -3.790 -6.613 1.00 0.48 H new ATOM 0 HB2 LEU A 93 5.051 -6.447 -5.260 1.00 0.65 H new ATOM 0 HB3 LEU A 93 4.703 -6.265 -6.967 1.00 0.65 H new ATOM 0 HG LEU A 93 6.926 -4.745 -5.525 1.00 0.71 H new ATOM 0 HD11 LEU A 93 8.464 -6.335 -6.645 1.00 0.89 H new ATOM 0 HD12 LEU A 93 7.363 -7.185 -5.534 1.00 0.89 H new ATOM 0 HD13 LEU A 93 7.068 -7.233 -7.289 1.00 0.89 H new ATOM 0 HD21 LEU A 93 7.691 -4.282 -7.841 1.00 0.57 H new ATOM 0 HD22 LEU A 93 6.292 -5.176 -8.481 1.00 0.57 H new ATOM 0 HD23 LEU A 93 6.043 -3.664 -7.577 1.00 0.57 H new ATOM 1152 N GLU A 94 2.517 -5.697 -4.630 1.00 0.46 N ATOM 1153 CA GLU A 94 1.112 -6.115 -4.380 1.00 0.47 C ATOM 1154 C GLU A 94 0.296 -4.862 -4.075 1.00 0.42 C ATOM 1155 O GLU A 94 -0.823 -4.704 -4.521 1.00 0.45 O ATOM 1156 CB GLU A 94 1.070 -7.067 -3.182 1.00 0.51 C ATOM 1157 CG GLU A 94 1.552 -8.454 -3.614 1.00 0.35 C ATOM 1158 CD GLU A 94 1.283 -9.462 -2.495 1.00 1.06 C ATOM 1159 OE1 GLU A 94 1.208 -9.044 -1.352 1.00 1.83 O ATOM 1160 OE2 GLU A 94 1.157 -10.637 -2.802 1.00 1.11 O ATOM 0 H GLU A 94 3.205 -6.078 -3.981 1.00 0.46 H new ATOM 0 HA GLU A 94 0.703 -6.628 -5.250 1.00 0.47 H new ATOM 0 HB2 GLU A 94 1.700 -6.685 -2.379 1.00 0.51 H new ATOM 0 HB3 GLU A 94 0.055 -7.129 -2.789 1.00 0.51 H new ATOM 0 HG2 GLU A 94 1.039 -8.761 -4.525 1.00 0.35 H new ATOM 0 HG3 GLU A 94 2.617 -8.425 -3.843 1.00 0.35 H new ATOM 1167 N PHE A 95 0.870 -3.954 -3.337 1.00 0.36 N ATOM 1168 CA PHE A 95 0.158 -2.690 -3.019 1.00 0.33 C ATOM 1169 C PHE A 95 -0.154 -1.975 -4.327 1.00 0.32 C ATOM 1170 O PHE A 95 -1.122 -1.259 -4.441 1.00 0.34 O ATOM 1171 CB PHE A 95 1.067 -1.794 -2.180 1.00 0.33 C ATOM 1172 CG PHE A 95 0.886 -2.091 -0.715 1.00 0.33 C ATOM 1173 CD1 PHE A 95 -0.397 -2.219 -0.174 1.00 0.94 C ATOM 1174 CD2 PHE A 95 2.009 -2.239 0.102 1.00 1.14 C ATOM 1175 CE1 PHE A 95 -0.555 -2.495 1.186 1.00 0.87 C ATOM 1176 CE2 PHE A 95 1.854 -2.514 1.461 1.00 1.22 C ATOM 1177 CZ PHE A 95 0.571 -2.643 2.006 1.00 0.40 C ATOM 0 H PHE A 95 1.806 -4.035 -2.940 1.00 0.36 H new ATOM 0 HA PHE A 95 -0.757 -2.906 -2.468 1.00 0.33 H new ATOM 0 HB2 PHE A 95 2.107 -1.952 -2.464 1.00 0.33 H new ATOM 0 HB3 PHE A 95 0.838 -0.747 -2.377 1.00 0.33 H new ATOM 0 HD1 PHE A 95 -1.265 -2.105 -0.807 1.00 0.94 H new ATOM 0 HD2 PHE A 95 2.999 -2.140 -0.319 1.00 1.14 H new ATOM 0 HE1 PHE A 95 -1.545 -2.594 1.605 1.00 0.87 H new ATOM 0 HE2 PHE A 95 2.723 -2.627 2.092 1.00 1.22 H new ATOM 0 HZ PHE A 95 0.449 -2.856 3.058 1.00 0.40 H new ATOM 1187 N GLU A 96 0.678 -2.170 -5.312 1.00 0.33 N ATOM 1188 CA GLU A 96 0.462 -1.511 -6.627 1.00 0.32 C ATOM 1189 C GLU A 96 -0.859 -1.987 -7.221 1.00 0.34 C ATOM 1190 O GLU A 96 -1.648 -1.196 -7.686 1.00 0.40 O ATOM 1191 CB GLU A 96 1.611 -1.868 -7.565 1.00 0.34 C ATOM 1192 CG GLU A 96 1.956 -0.663 -8.441 1.00 0.32 C ATOM 1193 CD GLU A 96 0.771 -0.337 -9.352 1.00 0.93 C ATOM 1194 OE1 GLU A 96 0.410 -1.186 -10.150 1.00 0.94 O ATOM 1195 OE2 GLU A 96 0.246 0.758 -9.238 1.00 1.73 O ATOM 0 H GLU A 96 1.506 -2.764 -5.260 1.00 0.33 H new ATOM 0 HA GLU A 96 0.427 -0.429 -6.496 1.00 0.32 H new ATOM 0 HB2 GLU A 96 2.484 -2.171 -6.987 1.00 0.34 H new ATOM 0 HB3 GLU A 96 1.332 -2.716 -8.190 1.00 0.34 H new ATOM 0 HG2 GLU A 96 2.195 0.197 -7.816 1.00 0.32 H new ATOM 0 HG3 GLU A 96 2.841 -0.877 -9.040 1.00 0.32 H new ATOM 1202 N VAL A 97 -1.118 -3.270 -7.210 1.00 0.34 N ATOM 1203 CA VAL A 97 -2.417 -3.750 -7.780 1.00 0.41 C ATOM 1204 C VAL A 97 -3.572 -3.194 -6.932 1.00 0.44 C ATOM 1205 O VAL A 97 -4.628 -2.864 -7.440 1.00 0.49 O ATOM 1206 CB VAL A 97 -2.461 -5.284 -7.806 1.00 0.42 C ATOM 1207 CG1 VAL A 97 -2.333 -5.857 -6.390 1.00 0.30 C ATOM 1208 CG2 VAL A 97 -3.789 -5.737 -8.416 1.00 0.76 C ATOM 0 H VAL A 97 -0.502 -3.994 -6.840 1.00 0.34 H new ATOM 0 HA VAL A 97 -2.515 -3.395 -8.806 1.00 0.41 H new ATOM 0 HB VAL A 97 -1.626 -5.648 -8.405 1.00 0.42 H new ATOM 0 HG11 VAL A 97 -2.367 -6.946 -6.434 1.00 0.30 H new ATOM 0 HG12 VAL A 97 -1.386 -5.541 -5.954 1.00 0.30 H new ATOM 0 HG13 VAL A 97 -3.156 -5.493 -5.774 1.00 0.30 H new ATOM 0 HG21 VAL A 97 -3.827 -6.826 -8.437 1.00 0.76 H new ATOM 0 HG22 VAL A 97 -4.614 -5.357 -7.814 1.00 0.76 H new ATOM 0 HG23 VAL A 97 -3.873 -5.351 -9.432 1.00 0.76 H new ATOM 1218 N TYR A 98 -3.374 -3.054 -5.650 1.00 0.42 N ATOM 1219 CA TYR A 98 -4.455 -2.491 -4.799 1.00 0.45 C ATOM 1220 C TYR A 98 -4.584 -1.003 -5.125 1.00 0.47 C ATOM 1221 O TYR A 98 -5.623 -0.397 -4.945 1.00 0.52 O ATOM 1222 CB TYR A 98 -4.098 -2.685 -3.325 1.00 0.41 C ATOM 1223 CG TYR A 98 -4.216 -4.150 -2.985 1.00 0.43 C ATOM 1224 CD1 TYR A 98 -5.475 -4.760 -2.948 1.00 0.51 C ATOM 1225 CD2 TYR A 98 -3.067 -4.902 -2.716 1.00 0.41 C ATOM 1226 CE1 TYR A 98 -5.588 -6.119 -2.639 1.00 0.58 C ATOM 1227 CE2 TYR A 98 -3.179 -6.264 -2.409 1.00 0.48 C ATOM 1228 CZ TYR A 98 -4.440 -6.872 -2.370 1.00 0.57 C ATOM 1229 OH TYR A 98 -4.549 -8.214 -2.068 1.00 0.66 O ATOM 0 H TYR A 98 -2.515 -3.304 -5.159 1.00 0.42 H new ATOM 0 HA TYR A 98 -5.401 -2.996 -4.992 1.00 0.45 H new ATOM 0 HB2 TYR A 98 -3.084 -2.333 -3.133 1.00 0.41 H new ATOM 0 HB3 TYR A 98 -4.764 -2.096 -2.695 1.00 0.41 H new ATOM 0 HD1 TYR A 98 -6.361 -4.180 -3.159 1.00 0.51 H new ATOM 0 HD2 TYR A 98 -2.095 -4.433 -2.745 1.00 0.41 H new ATOM 0 HE1 TYR A 98 -6.561 -6.587 -2.608 1.00 0.58 H new ATOM 0 HE2 TYR A 98 -2.293 -6.845 -2.202 1.00 0.48 H new ATOM 0 HH TYR A 98 -5.406 -8.381 -1.623 1.00 0.66 H new ATOM 1239 N LEU A 99 -3.535 -0.421 -5.642 1.00 0.44 N ATOM 1240 CA LEU A 99 -3.584 1.008 -6.026 1.00 0.47 C ATOM 1241 C LEU A 99 -4.338 1.096 -7.341 1.00 0.48 C ATOM 1242 O LEU A 99 -5.053 2.041 -7.600 1.00 0.51 O ATOM 1243 CB LEU A 99 -2.165 1.541 -6.192 1.00 0.51 C ATOM 1244 CG LEU A 99 -1.484 1.558 -4.828 1.00 0.50 C ATOM 1245 CD1 LEU A 99 0.026 1.396 -4.999 1.00 0.69 C ATOM 1246 CD2 LEU A 99 -1.778 2.886 -4.145 1.00 0.62 C ATOM 0 H LEU A 99 -2.642 -0.883 -5.814 1.00 0.44 H new ATOM 0 HA LEU A 99 -4.083 1.604 -5.262 1.00 0.47 H new ATOM 0 HB2 LEU A 99 -1.605 0.914 -6.886 1.00 0.51 H new ATOM 0 HB3 LEU A 99 -2.186 2.545 -6.616 1.00 0.51 H new ATOM 0 HG LEU A 99 -1.863 0.736 -4.221 1.00 0.50 H new ATOM 0 HD11 LEU A 99 0.506 1.409 -4.021 1.00 0.69 H new ATOM 0 HD12 LEU A 99 0.236 0.448 -5.494 1.00 0.69 H new ATOM 0 HD13 LEU A 99 0.414 2.215 -5.604 1.00 0.69 H new ATOM 0 HD21 LEU A 99 -1.295 2.908 -3.168 1.00 0.62 H new ATOM 0 HD22 LEU A 99 -1.395 3.703 -4.757 1.00 0.62 H new ATOM 0 HD23 LEU A 99 -2.855 3.000 -4.020 1.00 0.62 H new ATOM 1258 N GLU A 100 -4.235 0.071 -8.148 1.00 0.47 N ATOM 1259 CA GLU A 100 -4.995 0.041 -9.418 1.00 0.51 C ATOM 1260 C GLU A 100 -6.466 0.105 -9.008 1.00 0.52 C ATOM 1261 O GLU A 100 -7.293 0.710 -9.661 1.00 0.57 O ATOM 1262 CB GLU A 100 -4.667 -1.271 -10.160 1.00 0.48 C ATOM 1263 CG GLU A 100 -5.775 -1.650 -11.145 1.00 1.17 C ATOM 1264 CD GLU A 100 -6.060 -0.475 -12.083 1.00 0.77 C ATOM 1265 OE1 GLU A 100 -5.190 -0.152 -12.875 1.00 1.55 O ATOM 1266 OE2 GLU A 100 -7.142 0.082 -11.993 1.00 1.69 O ATOM 0 H GLU A 100 -3.652 -0.748 -7.974 1.00 0.47 H new ATOM 0 HA GLU A 100 -4.749 0.863 -10.090 1.00 0.51 H new ATOM 0 HB2 GLU A 100 -3.724 -1.161 -10.696 1.00 0.48 H new ATOM 0 HB3 GLU A 100 -4.531 -2.075 -9.437 1.00 0.48 H new ATOM 0 HG2 GLU A 100 -5.477 -2.524 -11.723 1.00 1.17 H new ATOM 0 HG3 GLU A 100 -6.680 -1.921 -10.601 1.00 1.17 H new ATOM 1273 N TYR A 101 -6.766 -0.489 -7.883 1.00 0.50 N ATOM 1274 CA TYR A 101 -8.144 -0.449 -7.356 1.00 0.53 C ATOM 1275 C TYR A 101 -8.526 1.006 -7.118 1.00 0.58 C ATOM 1276 O TYR A 101 -9.534 1.489 -7.592 1.00 0.66 O ATOM 1277 CB TYR A 101 -8.190 -1.205 -6.023 1.00 0.49 C ATOM 1278 CG TYR A 101 -9.340 -2.180 -6.017 1.00 0.43 C ATOM 1279 CD1 TYR A 101 -9.588 -2.976 -7.140 1.00 0.57 C ATOM 1280 CD2 TYR A 101 -10.158 -2.287 -4.887 1.00 0.29 C ATOM 1281 CE1 TYR A 101 -10.654 -3.879 -7.137 1.00 0.56 C ATOM 1282 CE2 TYR A 101 -11.225 -3.192 -4.883 1.00 0.24 C ATOM 1283 CZ TYR A 101 -11.475 -3.987 -6.008 1.00 0.39 C ATOM 1284 OH TYR A 101 -12.530 -4.877 -6.002 1.00 0.39 O ATOM 0 H TYR A 101 -6.101 -1.004 -7.307 1.00 0.50 H new ATOM 0 HA TYR A 101 -8.834 -0.909 -8.063 1.00 0.53 H new ATOM 0 HB2 TYR A 101 -7.252 -1.737 -5.866 1.00 0.49 H new ATOM 0 HB3 TYR A 101 -8.298 -0.499 -5.200 1.00 0.49 H new ATOM 0 HD1 TYR A 101 -8.955 -2.892 -8.011 1.00 0.57 H new ATOM 0 HD2 TYR A 101 -9.966 -1.672 -4.020 1.00 0.29 H new ATOM 0 HE1 TYR A 101 -10.845 -4.493 -8.005 1.00 0.56 H new ATOM 0 HE2 TYR A 101 -11.857 -3.277 -4.011 1.00 0.24 H new ATOM 0 HH TYR A 101 -12.639 -5.249 -5.102 1.00 0.39 H new ATOM 1294 N LEU A 102 -7.728 1.698 -6.365 1.00 0.56 N ATOM 1295 CA LEU A 102 -8.031 3.120 -6.056 1.00 0.61 C ATOM 1296 C LEU A 102 -7.356 4.039 -7.076 1.00 0.75 C ATOM 1297 O LEU A 102 -7.169 5.211 -6.826 1.00 0.95 O ATOM 1298 CB LEU A 102 -7.514 3.461 -4.656 1.00 0.59 C ATOM 1299 CG LEU A 102 -7.759 2.290 -3.697 1.00 0.48 C ATOM 1300 CD1 LEU A 102 -6.477 2.000 -2.922 1.00 0.47 C ATOM 1301 CD2 LEU A 102 -8.881 2.660 -2.731 1.00 0.45 C ATOM 0 H LEU A 102 -6.871 1.339 -5.945 1.00 0.56 H new ATOM 0 HA LEU A 102 -9.110 3.266 -6.100 1.00 0.61 H new ATOM 0 HB2 LEU A 102 -6.449 3.687 -4.700 1.00 0.59 H new ATOM 0 HB3 LEU A 102 -8.015 4.355 -4.284 1.00 0.59 H new ATOM 0 HG LEU A 102 -8.047 1.401 -4.258 1.00 0.48 H new ATOM 0 HD11 LEU A 102 -6.645 1.168 -2.238 1.00 0.47 H new ATOM 0 HD12 LEU A 102 -5.681 1.741 -3.620 1.00 0.47 H new ATOM 0 HD13 LEU A 102 -6.188 2.884 -2.353 1.00 0.47 H new ATOM 0 HD21 LEU A 102 -9.060 1.831 -2.046 1.00 0.45 H new ATOM 0 HD22 LEU A 102 -8.595 3.545 -2.162 1.00 0.45 H new ATOM 0 HD23 LEU A 102 -9.791 2.869 -3.293 1.00 0.45 H new ATOM 1313 N GLN A 103 -6.984 3.528 -8.217 1.00 0.70 N ATOM 1314 CA GLN A 103 -6.321 4.401 -9.226 1.00 0.84 C ATOM 1315 C GLN A 103 -7.325 4.768 -10.326 1.00 0.84 C ATOM 1316 O GLN A 103 -7.293 5.855 -10.866 1.00 1.11 O ATOM 1317 CB GLN A 103 -5.127 3.669 -9.851 1.00 1.00 C ATOM 1318 CG GLN A 103 -4.483 4.555 -10.923 1.00 0.92 C ATOM 1319 CD GLN A 103 -4.282 3.746 -12.207 1.00 0.66 C ATOM 1320 OE1 GLN A 103 -4.422 2.538 -12.207 1.00 0.92 O ATOM 1321 NE2 GLN A 103 -3.958 4.363 -13.309 1.00 1.10 N ATOM 0 H GLN A 103 -7.109 2.554 -8.493 1.00 0.70 H new ATOM 0 HA GLN A 103 -5.968 5.307 -8.734 1.00 0.84 H new ATOM 0 HB2 GLN A 103 -4.396 3.422 -9.081 1.00 1.00 H new ATOM 0 HB3 GLN A 103 -5.455 2.728 -10.292 1.00 1.00 H new ATOM 0 HG2 GLN A 103 -5.116 5.420 -11.122 1.00 0.92 H new ATOM 0 HG3 GLN A 103 -3.525 4.935 -10.567 1.00 0.92 H new ATOM 0 HE21 GLN A 103 -3.840 5.376 -13.311 1.00 1.10 H new ATOM 0 HE22 GLN A 103 -3.822 3.832 -14.170 1.00 1.10 H new ATOM 1330 N ASN A 104 -8.205 3.865 -10.671 1.00 0.77 N ATOM 1331 CA ASN A 104 -9.196 4.165 -11.748 1.00 0.94 C ATOM 1332 C ASN A 104 -10.625 3.991 -11.219 1.00 0.89 C ATOM 1333 O ASN A 104 -11.550 4.620 -11.695 1.00 0.99 O ATOM 1334 CB ASN A 104 -8.975 3.204 -12.919 1.00 1.24 C ATOM 1335 CG ASN A 104 -8.450 3.978 -14.128 1.00 2.08 C ATOM 1336 OD1 ASN A 104 -7.285 3.888 -14.463 1.00 3.26 O ATOM 1337 ND2 ASN A 104 -9.265 4.742 -14.803 1.00 1.94 N ATOM 0 H ASN A 104 -8.281 2.936 -10.256 1.00 0.77 H new ATOM 0 HA ASN A 104 -9.060 5.195 -12.077 1.00 0.94 H new ATOM 0 HB2 ASN A 104 -8.265 2.427 -12.636 1.00 1.24 H new ATOM 0 HB3 ASN A 104 -9.910 2.704 -13.173 1.00 1.24 H new ATOM 0 HD21 ASN A 104 -8.924 5.263 -15.611 1.00 1.94 H new ATOM 0 HD22 ASN A 104 -10.243 4.818 -14.523 1.00 1.94 H new ATOM 1344 N ARG A 105 -10.818 3.138 -10.250 1.00 0.82 N ATOM 1345 CA ARG A 105 -12.191 2.925 -9.710 1.00 0.95 C ATOM 1346 C ARG A 105 -12.732 4.241 -9.148 1.00 0.84 C ATOM 1347 O ARG A 105 -13.905 4.539 -9.261 1.00 1.16 O ATOM 1348 CB ARG A 105 -12.144 1.873 -8.600 1.00 0.97 C ATOM 1349 CG ARG A 105 -13.453 1.085 -8.590 1.00 1.00 C ATOM 1350 CD ARG A 105 -14.370 1.629 -7.492 1.00 0.85 C ATOM 1351 NE ARG A 105 -13.782 1.329 -6.157 1.00 1.63 N ATOM 1352 CZ ARG A 105 -14.530 1.377 -5.088 1.00 2.32 C ATOM 1353 NH1 ARG A 105 -15.710 0.820 -5.090 1.00 1.74 N ATOM 1354 NH2 ARG A 105 -14.097 1.983 -4.016 1.00 3.88 N ATOM 0 H ARG A 105 -10.086 2.581 -9.810 1.00 0.82 H new ATOM 0 HA ARG A 105 -12.846 2.580 -10.510 1.00 0.95 H new ATOM 0 HB2 ARG A 105 -11.302 1.199 -8.759 1.00 0.97 H new ATOM 0 HB3 ARG A 105 -11.989 2.354 -7.634 1.00 0.97 H new ATOM 0 HG2 ARG A 105 -13.944 1.163 -9.560 1.00 1.00 H new ATOM 0 HG3 ARG A 105 -13.252 0.027 -8.419 1.00 1.00 H new ATOM 0 HD2 ARG A 105 -14.498 2.705 -7.611 1.00 0.85 H new ATOM 0 HD3 ARG A 105 -15.359 1.179 -7.574 1.00 0.85 H new ATOM 0 HE ARG A 105 -12.795 1.086 -6.078 1.00 1.63 H new ATOM 0 HH11 ARG A 105 -16.049 0.346 -5.927 1.00 1.74 H new ATOM 0 HH12 ARG A 105 -16.293 0.858 -4.254 1.00 1.74 H new ATOM 0 HH21 ARG A 105 -13.175 2.419 -4.014 1.00 3.88 H new ATOM 0 HH22 ARG A 105 -14.681 2.021 -3.181 1.00 3.88 H new ATOM 1368 N PHE A 106 -11.890 5.033 -8.544 1.00 0.45 N ATOM 1369 CA PHE A 106 -12.364 6.328 -7.979 1.00 0.41 C ATOM 1370 C PHE A 106 -12.796 7.250 -9.122 1.00 0.36 C ATOM 1371 O PHE A 106 -11.991 7.951 -9.703 1.00 0.33 O ATOM 1372 CB PHE A 106 -11.231 6.994 -7.196 1.00 0.30 C ATOM 1373 CG PHE A 106 -11.345 6.646 -5.729 1.00 0.41 C ATOM 1374 CD1 PHE A 106 -12.577 6.763 -5.072 1.00 0.90 C ATOM 1375 CD2 PHE A 106 -10.216 6.212 -5.025 1.00 0.57 C ATOM 1376 CE1 PHE A 106 -12.678 6.444 -3.713 1.00 1.00 C ATOM 1377 CE2 PHE A 106 -10.317 5.893 -3.665 1.00 0.60 C ATOM 1378 CZ PHE A 106 -11.549 6.009 -3.009 1.00 0.63 C ATOM 0 H PHE A 106 -10.896 4.840 -8.417 1.00 0.45 H new ATOM 0 HA PHE A 106 -13.207 6.145 -7.313 1.00 0.41 H new ATOM 0 HB2 PHE A 106 -10.267 6.664 -7.583 1.00 0.30 H new ATOM 0 HB3 PHE A 106 -11.274 8.075 -7.327 1.00 0.30 H new ATOM 0 HD1 PHE A 106 -13.448 7.099 -5.614 1.00 0.90 H new ATOM 0 HD2 PHE A 106 -9.266 6.123 -5.531 1.00 0.57 H new ATOM 0 HE1 PHE A 106 -13.628 6.534 -3.207 1.00 1.00 H new ATOM 0 HE2 PHE A 106 -9.445 5.558 -3.122 1.00 0.60 H new ATOM 0 HZ PHE A 106 -11.628 5.763 -1.960 1.00 0.63 H new ATOM 1388 N GLU A 107 -14.057 7.254 -9.452 1.00 0.37 N ATOM 1389 CA GLU A 107 -14.537 8.130 -10.557 1.00 0.32 C ATOM 1390 C GLU A 107 -14.895 9.512 -10.005 1.00 0.32 C ATOM 1391 O GLU A 107 -14.951 10.486 -10.730 1.00 0.27 O ATOM 1392 CB GLU A 107 -15.777 7.507 -11.196 1.00 0.33 C ATOM 1393 CG GLU A 107 -16.880 7.369 -10.143 1.00 0.81 C ATOM 1394 CD GLU A 107 -18.146 8.073 -10.634 1.00 1.11 C ATOM 1395 OE1 GLU A 107 -18.227 9.280 -10.477 1.00 2.56 O ATOM 1396 OE2 GLU A 107 -19.012 7.393 -11.158 1.00 1.00 O ATOM 0 H GLU A 107 -14.777 6.688 -9.004 1.00 0.37 H new ATOM 0 HA GLU A 107 -13.749 8.231 -11.303 1.00 0.32 H new ATOM 0 HB2 GLU A 107 -16.124 8.128 -12.022 1.00 0.33 H new ATOM 0 HB3 GLU A 107 -15.533 6.530 -11.612 1.00 0.33 H new ATOM 0 HG2 GLU A 107 -17.087 6.316 -9.954 1.00 0.81 H new ATOM 0 HG3 GLU A 107 -16.552 7.804 -9.199 1.00 0.81 H new ATOM 1403 N SER A 108 -15.132 9.607 -8.726 1.00 0.38 N ATOM 1404 CA SER A 108 -15.480 10.925 -8.126 1.00 0.40 C ATOM 1405 C SER A 108 -14.194 11.605 -7.676 1.00 0.40 C ATOM 1406 O SER A 108 -13.959 12.767 -7.945 1.00 0.38 O ATOM 1407 CB SER A 108 -16.397 10.717 -6.920 1.00 0.47 C ATOM 1408 OG SER A 108 -16.917 9.395 -6.946 1.00 1.57 O ATOM 0 H SER A 108 -15.100 8.827 -8.069 1.00 0.38 H new ATOM 0 HA SER A 108 -15.996 11.544 -8.860 1.00 0.40 H new ATOM 0 HB2 SER A 108 -15.844 10.884 -5.996 1.00 0.47 H new ATOM 0 HB3 SER A 108 -17.212 11.441 -6.939 1.00 0.47 H new ATOM 0 HG SER A 108 -17.504 9.259 -6.173 1.00 1.57 H new ATOM 1414 N SER A 109 -13.352 10.874 -7.006 1.00 0.42 N ATOM 1415 CA SER A 109 -12.062 11.446 -6.545 1.00 0.43 C ATOM 1416 C SER A 109 -10.952 10.854 -7.406 1.00 0.31 C ATOM 1417 O SER A 109 -9.853 10.614 -6.951 1.00 0.24 O ATOM 1418 CB SER A 109 -11.829 11.079 -5.078 1.00 0.55 C ATOM 1419 OG SER A 109 -10.713 11.806 -4.584 1.00 0.81 O ATOM 0 H SER A 109 -13.504 9.897 -6.756 1.00 0.42 H new ATOM 0 HA SER A 109 -12.074 12.532 -6.634 1.00 0.43 H new ATOM 0 HB2 SER A 109 -12.717 11.308 -4.488 1.00 0.55 H new ATOM 0 HB3 SER A 109 -11.651 10.008 -4.983 1.00 0.55 H new ATOM 0 HG SER A 109 -10.003 11.815 -5.260 1.00 0.81 H new ATOM 1425 N GLU A 110 -11.245 10.603 -8.655 1.00 0.31 N ATOM 1426 CA GLU A 110 -10.235 10.009 -9.563 1.00 0.21 C ATOM 1427 C GLU A 110 -8.910 10.775 -9.456 1.00 0.23 C ATOM 1428 O GLU A 110 -7.842 10.215 -9.604 1.00 0.41 O ATOM 1429 CB GLU A 110 -10.750 10.089 -11.000 1.00 0.27 C ATOM 1430 CG GLU A 110 -9.788 9.347 -11.922 1.00 0.17 C ATOM 1431 CD GLU A 110 -10.580 8.491 -12.911 1.00 0.77 C ATOM 1432 OE1 GLU A 110 -11.564 8.986 -13.436 1.00 1.14 O ATOM 1433 OE2 GLU A 110 -10.188 7.356 -13.128 1.00 1.31 O ATOM 0 H GLU A 110 -12.152 10.788 -9.084 1.00 0.31 H new ATOM 0 HA GLU A 110 -10.066 8.970 -9.282 1.00 0.21 H new ATOM 0 HB2 GLU A 110 -11.746 9.651 -11.066 1.00 0.27 H new ATOM 0 HB3 GLU A 110 -10.838 11.130 -11.310 1.00 0.27 H new ATOM 0 HG2 GLU A 110 -9.164 10.059 -12.461 1.00 0.17 H new ATOM 0 HG3 GLU A 110 -9.119 8.717 -11.335 1.00 0.17 H new ATOM 1440 N GLU A 111 -8.976 12.055 -9.208 1.00 0.44 N ATOM 1441 CA GLU A 111 -7.728 12.863 -9.100 1.00 0.50 C ATOM 1442 C GLU A 111 -6.825 12.290 -8.006 1.00 0.24 C ATOM 1443 O GLU A 111 -5.717 11.863 -8.265 1.00 0.42 O ATOM 1444 CB GLU A 111 -8.092 14.309 -8.754 1.00 0.82 C ATOM 1445 CG GLU A 111 -7.939 15.185 -10.002 1.00 0.85 C ATOM 1446 CD GLU A 111 -9.036 16.254 -10.029 1.00 1.65 C ATOM 1447 OE1 GLU A 111 -9.920 16.200 -9.188 1.00 2.20 O ATOM 1448 OE2 GLU A 111 -8.976 17.111 -10.895 1.00 1.92 O ATOM 0 H GLU A 111 -9.842 12.577 -9.075 1.00 0.44 H new ATOM 0 HA GLU A 111 -7.197 12.832 -10.051 1.00 0.50 H new ATOM 0 HB2 GLU A 111 -9.116 14.359 -8.384 1.00 0.82 H new ATOM 0 HB3 GLU A 111 -7.447 14.677 -7.956 1.00 0.82 H new ATOM 0 HG2 GLU A 111 -6.958 15.659 -10.006 1.00 0.85 H new ATOM 0 HG3 GLU A 111 -7.998 14.568 -10.899 1.00 0.85 H new ATOM 1455 N GLN A 112 -7.283 12.282 -6.783 1.00 0.19 N ATOM 1456 CA GLN A 112 -6.443 11.741 -5.676 1.00 0.25 C ATOM 1457 C GLN A 112 -6.048 10.298 -5.993 1.00 0.28 C ATOM 1458 O GLN A 112 -4.964 9.855 -5.673 1.00 0.46 O ATOM 1459 CB GLN A 112 -7.236 11.784 -4.368 1.00 0.51 C ATOM 1460 CG GLN A 112 -7.641 13.230 -4.062 1.00 0.61 C ATOM 1461 CD GLN A 112 -6.464 13.969 -3.421 1.00 1.11 C ATOM 1462 OE1 GLN A 112 -5.810 13.448 -2.540 1.00 1.66 O ATOM 1463 NE2 GLN A 112 -6.167 15.173 -3.831 1.00 1.57 N ATOM 0 H GLN A 112 -8.201 12.626 -6.503 1.00 0.19 H new ATOM 0 HA GLN A 112 -5.542 12.346 -5.572 1.00 0.25 H new ATOM 0 HB2 GLN A 112 -8.123 11.156 -4.448 1.00 0.51 H new ATOM 0 HB3 GLN A 112 -6.634 11.383 -3.552 1.00 0.51 H new ATOM 0 HG2 GLN A 112 -7.944 13.735 -4.979 1.00 0.61 H new ATOM 0 HG3 GLN A 112 -8.500 13.243 -3.392 1.00 0.61 H new ATOM 0 HE21 GLN A 112 -6.717 15.610 -4.571 1.00 1.57 H new ATOM 0 HE22 GLN A 112 -5.385 15.676 -3.411 1.00 1.57 H new ATOM 1472 N ALA A 113 -6.920 9.565 -6.629 1.00 0.24 N ATOM 1473 CA ALA A 113 -6.601 8.149 -6.980 1.00 0.47 C ATOM 1474 C ALA A 113 -5.272 8.101 -7.739 1.00 0.40 C ATOM 1475 O ALA A 113 -4.447 7.237 -7.516 1.00 0.45 O ATOM 1476 CB ALA A 113 -7.712 7.593 -7.871 1.00 0.69 C ATOM 0 H ALA A 113 -7.843 9.885 -6.922 1.00 0.24 H new ATOM 0 HA ALA A 113 -6.523 7.553 -6.071 1.00 0.47 H new ATOM 0 HB1 ALA A 113 -7.486 6.559 -8.132 1.00 0.69 H new ATOM 0 HB2 ALA A 113 -8.661 7.634 -7.337 1.00 0.69 H new ATOM 0 HB3 ALA A 113 -7.782 8.190 -8.781 1.00 0.69 H new ATOM 1482 N ARG A 114 -5.062 9.025 -8.635 1.00 0.32 N ATOM 1483 CA ARG A 114 -3.792 9.042 -9.413 1.00 0.28 C ATOM 1484 C ARG A 114 -2.658 9.566 -8.531 1.00 0.15 C ATOM 1485 O ARG A 114 -1.541 9.097 -8.595 1.00 0.15 O ATOM 1486 CB ARG A 114 -3.953 9.961 -10.623 1.00 0.33 C ATOM 1487 CG ARG A 114 -3.911 9.132 -11.907 1.00 0.60 C ATOM 1488 CD ARG A 114 -4.828 9.773 -12.946 1.00 0.82 C ATOM 1489 NE ARG A 114 -4.568 9.174 -14.284 1.00 1.33 N ATOM 1490 CZ ARG A 114 -5.183 9.642 -15.335 1.00 1.75 C ATOM 1491 NH1 ARG A 114 -6.463 9.441 -15.485 1.00 2.46 N ATOM 1492 NH2 ARG A 114 -4.519 10.316 -16.234 1.00 1.90 N ATOM 0 H ARG A 114 -5.718 9.772 -8.863 1.00 0.32 H new ATOM 0 HA ARG A 114 -3.557 8.031 -9.746 1.00 0.28 H new ATOM 0 HB2 ARG A 114 -4.897 10.502 -10.558 1.00 0.33 H new ATOM 0 HB3 ARG A 114 -3.158 10.707 -10.634 1.00 0.33 H new ATOM 0 HG2 ARG A 114 -2.891 9.079 -12.287 1.00 0.60 H new ATOM 0 HG3 ARG A 114 -4.229 8.109 -11.705 1.00 0.60 H new ATOM 0 HD2 ARG A 114 -5.871 9.623 -12.666 1.00 0.82 H new ATOM 0 HD3 ARG A 114 -4.659 10.849 -12.980 1.00 0.82 H new ATOM 0 HE ARG A 114 -3.911 8.400 -14.379 1.00 1.33 H new ATOM 0 HH11 ARG A 114 -6.983 8.918 -14.781 1.00 2.46 H new ATOM 0 HH12 ARG A 114 -6.944 9.807 -16.307 1.00 2.46 H new ATOM 0 HH21 ARG A 114 -3.519 10.477 -16.115 1.00 1.90 H new ATOM 0 HH22 ARG A 114 -5.000 10.682 -17.056 1.00 1.90 H new ATOM 1506 N ALA A 115 -2.937 10.540 -7.710 1.00 0.30 N ATOM 1507 CA ALA A 115 -1.875 11.095 -6.829 1.00 0.18 C ATOM 1508 C ALA A 115 -1.352 9.995 -5.904 1.00 0.20 C ATOM 1509 O ALA A 115 -0.246 10.065 -5.406 1.00 0.16 O ATOM 1510 CB ALA A 115 -2.455 12.234 -5.988 1.00 0.13 C ATOM 0 H ALA A 115 -3.855 10.975 -7.612 1.00 0.30 H new ATOM 0 HA ALA A 115 -1.057 11.474 -7.441 1.00 0.18 H new ATOM 0 HB1 ALA A 115 -1.678 12.642 -5.342 1.00 0.13 H new ATOM 0 HB2 ALA A 115 -2.828 13.019 -6.646 1.00 0.13 H new ATOM 0 HB3 ALA A 115 -3.273 11.854 -5.376 1.00 0.13 H new ATOM 1516 N VAL A 116 -2.135 8.977 -5.665 1.00 0.45 N ATOM 1517 CA VAL A 116 -1.668 7.884 -4.767 1.00 0.53 C ATOM 1518 C VAL A 116 -0.958 6.807 -5.584 1.00 0.53 C ATOM 1519 O VAL A 116 0.217 6.589 -5.431 1.00 0.74 O ATOM 1520 CB VAL A 116 -2.859 7.266 -4.035 1.00 0.66 C ATOM 1521 CG1 VAL A 116 -2.371 6.115 -3.148 1.00 1.21 C ATOM 1522 CG2 VAL A 116 -3.523 8.334 -3.166 1.00 1.91 C ATOM 0 H VAL A 116 -3.072 8.856 -6.050 1.00 0.45 H new ATOM 0 HA VAL A 116 -0.973 8.300 -4.038 1.00 0.53 H new ATOM 0 HB VAL A 116 -3.578 6.884 -4.760 1.00 0.66 H new ATOM 0 HG11 VAL A 116 -3.220 5.673 -2.625 1.00 1.21 H new ATOM 0 HG12 VAL A 116 -1.891 5.357 -3.767 1.00 1.21 H new ATOM 0 HG13 VAL A 116 -1.654 6.495 -2.420 1.00 1.21 H new ATOM 0 HG21 VAL A 116 -4.374 7.899 -2.641 1.00 1.91 H new ATOM 0 HG22 VAL A 116 -2.803 8.712 -2.440 1.00 1.91 H new ATOM 0 HG23 VAL A 116 -3.867 9.154 -3.796 1.00 1.91 H new ATOM 1532 N GLN A 117 -1.664 6.118 -6.438 1.00 0.63 N ATOM 1533 CA GLN A 117 -1.019 5.038 -7.248 1.00 0.61 C ATOM 1534 C GLN A 117 0.267 5.552 -7.903 1.00 0.60 C ATOM 1535 O GLN A 117 1.314 4.941 -7.806 1.00 0.56 O ATOM 1536 CB GLN A 117 -1.987 4.576 -8.339 1.00 0.64 C ATOM 1537 CG GLN A 117 -1.566 3.192 -8.838 1.00 1.01 C ATOM 1538 CD GLN A 117 -1.278 3.251 -10.340 1.00 0.91 C ATOM 1539 OE1 GLN A 117 -2.033 2.729 -11.136 1.00 1.92 O ATOM 1540 NE2 GLN A 117 -0.209 3.869 -10.766 1.00 0.89 N ATOM 0 H GLN A 117 -2.660 6.254 -6.612 1.00 0.63 H new ATOM 0 HA GLN A 117 -0.772 4.206 -6.588 1.00 0.61 H new ATOM 0 HB2 GLN A 117 -3.004 4.540 -7.947 1.00 0.64 H new ATOM 0 HB3 GLN A 117 -1.989 5.288 -9.165 1.00 0.64 H new ATOM 0 HG2 GLN A 117 -0.679 2.855 -8.301 1.00 1.01 H new ATOM 0 HG3 GLN A 117 -2.355 2.467 -8.637 1.00 1.01 H new ATOM 0 HE21 GLN A 117 0.426 4.308 -10.099 1.00 0.89 H new ATOM 0 HE22 GLN A 117 -0.009 3.913 -11.765 1.00 0.89 H new ATOM 1549 N MET A 118 0.192 6.660 -8.580 1.00 0.65 N ATOM 1550 CA MET A 118 1.401 7.211 -9.259 1.00 0.65 C ATOM 1551 C MET A 118 2.555 7.348 -8.259 1.00 0.61 C ATOM 1552 O MET A 118 3.668 6.939 -8.524 1.00 0.62 O ATOM 1553 CB MET A 118 1.070 8.587 -9.846 1.00 0.70 C ATOM 1554 CG MET A 118 -0.102 8.466 -10.825 1.00 0.80 C ATOM 1555 SD MET A 118 -0.685 10.121 -11.269 1.00 2.13 S ATOM 1556 CE MET A 118 0.343 10.331 -12.743 1.00 0.78 C ATOM 0 H MET A 118 -0.657 7.213 -8.695 1.00 0.65 H new ATOM 0 HA MET A 118 1.702 6.531 -10.056 1.00 0.65 H new ATOM 0 HB2 MET A 118 0.817 9.282 -9.046 1.00 0.70 H new ATOM 0 HB3 MET A 118 1.942 8.994 -10.358 1.00 0.70 H new ATOM 0 HG2 MET A 118 0.210 7.926 -11.719 1.00 0.80 H new ATOM 0 HG3 MET A 118 -0.911 7.892 -10.373 1.00 0.80 H new ATOM 0 HE1 MET A 118 0.144 11.305 -13.190 1.00 0.78 H new ATOM 0 HE2 MET A 118 1.395 10.267 -12.465 1.00 0.78 H new ATOM 0 HE3 MET A 118 0.110 9.547 -13.464 1.00 0.78 H new ATOM 1566 N SER A 119 2.304 7.933 -7.120 1.00 0.56 N ATOM 1567 CA SER A 119 3.390 8.110 -6.112 1.00 0.53 C ATOM 1568 C SER A 119 3.969 6.750 -5.703 1.00 0.44 C ATOM 1569 O SER A 119 5.166 6.566 -5.658 1.00 0.43 O ATOM 1570 CB SER A 119 2.825 8.810 -4.876 1.00 0.54 C ATOM 1571 OG SER A 119 3.666 9.903 -4.529 1.00 0.25 O ATOM 0 H SER A 119 1.392 8.297 -6.843 1.00 0.56 H new ATOM 0 HA SER A 119 4.184 8.714 -6.553 1.00 0.53 H new ATOM 0 HB2 SER A 119 1.813 9.164 -5.075 1.00 0.54 H new ATOM 0 HB3 SER A 119 2.760 8.108 -4.045 1.00 0.54 H new ATOM 0 HG SER A 119 3.168 10.533 -3.967 1.00 0.25 H new ATOM 1577 N THR A 120 3.132 5.804 -5.392 1.00 0.41 N ATOM 1578 CA THR A 120 3.633 4.465 -4.974 1.00 0.35 C ATOM 1579 C THR A 120 4.485 3.867 -6.096 1.00 0.31 C ATOM 1580 O THR A 120 5.342 3.039 -5.861 1.00 0.28 O ATOM 1581 CB THR A 120 2.448 3.544 -4.677 1.00 0.43 C ATOM 1582 OG1 THR A 120 1.863 3.117 -5.899 1.00 1.37 O ATOM 1583 CG2 THR A 120 1.407 4.297 -3.843 1.00 0.67 C ATOM 0 H THR A 120 2.117 5.899 -5.409 1.00 0.41 H new ATOM 0 HA THR A 120 4.241 4.568 -4.075 1.00 0.35 H new ATOM 0 HB THR A 120 2.795 2.675 -4.118 1.00 0.43 H new ATOM 0 HG1 THR A 120 1.493 3.891 -6.373 1.00 1.37 H new ATOM 0 HG21 THR A 120 0.564 3.639 -3.633 1.00 0.67 H new ATOM 0 HG22 THR A 120 1.857 4.621 -2.905 1.00 0.67 H new ATOM 0 HG23 THR A 120 1.058 5.168 -4.397 1.00 0.67 H new ATOM 1591 N LYS A 121 4.278 4.300 -7.310 1.00 0.36 N ATOM 1592 CA LYS A 121 5.101 3.775 -8.432 1.00 0.32 C ATOM 1593 C LYS A 121 6.446 4.482 -8.367 1.00 0.24 C ATOM 1594 O LYS A 121 7.483 3.922 -8.657 1.00 0.15 O ATOM 1595 CB LYS A 121 4.417 4.078 -9.768 1.00 0.34 C ATOM 1596 CG LYS A 121 3.250 3.110 -9.978 1.00 0.80 C ATOM 1597 CD LYS A 121 3.551 2.201 -11.172 1.00 0.76 C ATOM 1598 CE LYS A 121 2.253 1.888 -11.918 1.00 1.86 C ATOM 1599 NZ LYS A 121 2.547 1.691 -13.367 1.00 1.63 N ATOM 0 H LYS A 121 3.576 4.993 -7.571 1.00 0.36 H new ATOM 0 HA LYS A 121 5.224 2.695 -8.352 1.00 0.32 H new ATOM 0 HB2 LYS A 121 4.056 5.106 -9.778 1.00 0.34 H new ATOM 0 HB3 LYS A 121 5.133 3.983 -10.584 1.00 0.34 H new ATOM 0 HG2 LYS A 121 3.094 2.511 -9.081 1.00 0.80 H new ATOM 0 HG3 LYS A 121 2.329 3.666 -10.153 1.00 0.80 H new ATOM 0 HD2 LYS A 121 4.260 2.687 -11.843 1.00 0.76 H new ATOM 0 HD3 LYS A 121 4.018 1.277 -10.830 1.00 0.76 H new ATOM 0 HE2 LYS A 121 1.791 0.992 -11.505 1.00 1.86 H new ATOM 0 HE3 LYS A 121 1.541 2.703 -11.788 1.00 1.86 H new ATOM 0 HZ1 LYS A 121 1.665 1.478 -13.874 1.00 1.63 H new ATOM 0 HZ2 LYS A 121 2.970 2.558 -13.756 1.00 1.63 H new ATOM 0 HZ3 LYS A 121 3.212 0.900 -13.482 1.00 1.63 H new ATOM 1613 N VAL A 122 6.422 5.717 -7.957 1.00 0.30 N ATOM 1614 CA VAL A 122 7.675 6.495 -7.826 1.00 0.28 C ATOM 1615 C VAL A 122 8.511 5.903 -6.687 1.00 0.28 C ATOM 1616 O VAL A 122 9.710 6.076 -6.632 1.00 0.33 O ATOM 1617 CB VAL A 122 7.323 7.945 -7.507 1.00 0.38 C ATOM 1618 CG1 VAL A 122 8.603 8.755 -7.347 1.00 0.44 C ATOM 1619 CG2 VAL A 122 6.491 8.527 -8.649 1.00 0.42 C ATOM 0 H VAL A 122 5.574 6.224 -7.704 1.00 0.30 H new ATOM 0 HA VAL A 122 8.245 6.454 -8.754 1.00 0.28 H new ATOM 0 HB VAL A 122 6.750 7.986 -6.581 1.00 0.38 H new ATOM 0 HG11 VAL A 122 8.352 9.791 -7.119 1.00 0.44 H new ATOM 0 HG12 VAL A 122 9.198 8.339 -6.534 1.00 0.44 H new ATOM 0 HG13 VAL A 122 9.176 8.716 -8.273 1.00 0.44 H new ATOM 0 HG21 VAL A 122 6.238 9.563 -8.424 1.00 0.42 H new ATOM 0 HG22 VAL A 122 7.065 8.487 -9.575 1.00 0.42 H new ATOM 0 HG23 VAL A 122 5.575 7.947 -8.764 1.00 0.42 H new ATOM 1629 N LEU A 123 7.884 5.195 -5.781 1.00 0.32 N ATOM 1630 CA LEU A 123 8.639 4.577 -4.653 1.00 0.33 C ATOM 1631 C LEU A 123 9.179 3.224 -5.114 1.00 0.23 C ATOM 1632 O LEU A 123 10.235 2.785 -4.708 1.00 0.22 O ATOM 1633 CB LEU A 123 7.692 4.350 -3.466 1.00 0.44 C ATOM 1634 CG LEU A 123 7.671 5.580 -2.558 1.00 0.39 C ATOM 1635 CD1 LEU A 123 9.046 5.778 -1.917 1.00 0.36 C ATOM 1636 CD2 LEU A 123 7.303 6.814 -3.379 1.00 0.58 C ATOM 0 H LEU A 123 6.879 5.019 -5.776 1.00 0.32 H new ATOM 0 HA LEU A 123 9.455 5.233 -4.351 1.00 0.33 H new ATOM 0 HB2 LEU A 123 6.686 4.142 -3.830 1.00 0.44 H new ATOM 0 HB3 LEU A 123 8.013 3.477 -2.898 1.00 0.44 H new ATOM 0 HG LEU A 123 6.930 5.433 -1.772 1.00 0.39 H new ATOM 0 HD11 LEU A 123 9.024 6.656 -1.272 1.00 0.36 H new ATOM 0 HD12 LEU A 123 9.302 4.899 -1.325 1.00 0.36 H new ATOM 0 HD13 LEU A 123 9.794 5.920 -2.697 1.00 0.36 H new ATOM 0 HD21 LEU A 123 7.288 7.691 -2.731 1.00 0.58 H new ATOM 0 HD22 LEU A 123 8.040 6.959 -4.169 1.00 0.58 H new ATOM 0 HD23 LEU A 123 6.318 6.675 -3.824 1.00 0.58 H new ATOM 1648 N ILE A 124 8.441 2.563 -5.962 1.00 0.20 N ATOM 1649 CA ILE A 124 8.868 1.230 -6.472 1.00 0.14 C ATOM 1650 C ILE A 124 10.025 1.404 -7.453 1.00 0.20 C ATOM 1651 O ILE A 124 10.853 0.530 -7.615 1.00 0.39 O ATOM 1652 CB ILE A 124 7.679 0.566 -7.171 1.00 0.14 C ATOM 1653 CG1 ILE A 124 6.564 0.335 -6.151 1.00 0.28 C ATOM 1654 CG2 ILE A 124 8.101 -0.777 -7.767 1.00 0.48 C ATOM 1655 CD1 ILE A 124 5.246 0.091 -6.885 1.00 0.61 C ATOM 0 H ILE A 124 7.548 2.894 -6.328 1.00 0.20 H new ATOM 0 HA ILE A 124 9.202 0.602 -5.646 1.00 0.14 H new ATOM 0 HB ILE A 124 7.326 1.216 -7.972 1.00 0.14 H new ATOM 0 HG12 ILE A 124 6.805 -0.520 -5.520 1.00 0.28 H new ATOM 0 HG13 ILE A 124 6.472 1.200 -5.494 1.00 0.28 H new ATOM 0 HG21 ILE A 124 7.247 -1.240 -8.262 1.00 0.48 H new ATOM 0 HG22 ILE A 124 8.899 -0.618 -8.493 1.00 0.48 H new ATOM 0 HG23 ILE A 124 8.459 -1.432 -6.972 1.00 0.48 H new ATOM 0 HD11 ILE A 124 4.450 -0.074 -6.159 1.00 0.61 H new ATOM 0 HD12 ILE A 124 5.004 0.960 -7.497 1.00 0.61 H new ATOM 0 HD13 ILE A 124 5.342 -0.787 -7.523 1.00 0.61 H new ATOM 1667 N GLN A 125 10.093 2.529 -8.104 1.00 0.20 N ATOM 1668 CA GLN A 125 11.196 2.764 -9.064 1.00 0.27 C ATOM 1669 C GLN A 125 12.366 3.412 -8.327 1.00 0.30 C ATOM 1670 O GLN A 125 13.509 3.036 -8.497 1.00 0.30 O ATOM 1671 CB GLN A 125 10.703 3.692 -10.167 1.00 0.30 C ATOM 1672 CG GLN A 125 10.375 2.865 -11.408 1.00 0.29 C ATOM 1673 CD GLN A 125 10.974 3.538 -12.645 1.00 0.42 C ATOM 1674 OE1 GLN A 125 11.910 4.306 -12.540 1.00 1.30 O ATOM 1675 NE2 GLN A 125 10.473 3.278 -13.822 1.00 0.55 N ATOM 0 H GLN A 125 9.428 3.297 -8.010 1.00 0.20 H new ATOM 0 HA GLN A 125 11.522 1.821 -9.503 1.00 0.27 H new ATOM 0 HB2 GLN A 125 9.819 4.236 -9.833 1.00 0.30 H new ATOM 0 HB3 GLN A 125 11.465 4.435 -10.401 1.00 0.30 H new ATOM 0 HG2 GLN A 125 10.774 1.856 -11.301 1.00 0.29 H new ATOM 0 HG3 GLN A 125 9.295 2.771 -11.520 1.00 0.29 H new ATOM 0 HE21 GLN A 125 9.687 2.633 -13.911 1.00 0.55 H new ATOM 0 HE22 GLN A 125 10.867 3.719 -14.653 1.00 0.55 H new ATOM 1684 N PHE A 126 12.083 4.375 -7.495 1.00 0.34 N ATOM 1685 CA PHE A 126 13.171 5.041 -6.730 1.00 0.37 C ATOM 1686 C PHE A 126 13.771 4.036 -5.745 1.00 0.45 C ATOM 1687 O PHE A 126 14.891 4.184 -5.305 1.00 0.64 O ATOM 1688 CB PHE A 126 12.607 6.238 -5.962 1.00 0.47 C ATOM 1689 CG PHE A 126 12.530 7.437 -6.876 1.00 0.47 C ATOM 1690 CD1 PHE A 126 11.817 7.359 -8.078 1.00 0.46 C ATOM 1691 CD2 PHE A 126 13.173 8.629 -6.521 1.00 0.61 C ATOM 1692 CE1 PHE A 126 11.747 8.472 -8.925 1.00 0.52 C ATOM 1693 CE2 PHE A 126 13.103 9.743 -7.367 1.00 0.69 C ATOM 1694 CZ PHE A 126 12.391 9.663 -8.569 1.00 0.61 C ATOM 0 H PHE A 126 11.144 4.729 -7.312 1.00 0.34 H new ATOM 0 HA PHE A 126 13.941 5.392 -7.417 1.00 0.37 H new ATOM 0 HB2 PHE A 126 11.617 6.000 -5.574 1.00 0.47 H new ATOM 0 HB3 PHE A 126 13.240 6.463 -5.104 1.00 0.47 H new ATOM 0 HD1 PHE A 126 11.321 6.440 -8.352 1.00 0.46 H new ATOM 0 HD2 PHE A 126 13.724 8.690 -5.594 1.00 0.61 H new ATOM 0 HE1 PHE A 126 11.197 8.412 -9.852 1.00 0.52 H new ATOM 0 HE2 PHE A 126 13.598 10.663 -7.092 1.00 0.69 H new ATOM 0 HZ PHE A 126 12.338 10.521 -9.223 1.00 0.61 H new ATOM 1704 N LEU A 127 13.033 3.012 -5.400 1.00 0.39 N ATOM 1705 CA LEU A 127 13.563 1.993 -4.448 1.00 0.45 C ATOM 1706 C LEU A 127 14.303 0.909 -5.231 1.00 0.41 C ATOM 1707 O LEU A 127 15.343 0.437 -4.823 1.00 0.42 O ATOM 1708 CB LEU A 127 12.405 1.353 -3.678 1.00 0.53 C ATOM 1709 CG LEU A 127 11.899 2.321 -2.608 1.00 1.22 C ATOM 1710 CD1 LEU A 127 10.482 1.927 -2.192 1.00 2.00 C ATOM 1711 CD2 LEU A 127 12.822 2.260 -1.389 1.00 0.91 C ATOM 0 H LEU A 127 12.086 2.838 -5.737 1.00 0.39 H new ATOM 0 HA LEU A 127 14.243 2.475 -3.746 1.00 0.45 H new ATOM 0 HB2 LEU A 127 11.597 1.099 -4.363 1.00 0.53 H new ATOM 0 HB3 LEU A 127 12.734 0.423 -3.214 1.00 0.53 H new ATOM 0 HG LEU A 127 11.891 3.334 -3.010 1.00 1.22 H new ATOM 0 HD11 LEU A 127 10.122 2.617 -1.429 1.00 2.00 H new ATOM 0 HD12 LEU A 127 9.823 1.969 -3.059 1.00 2.00 H new ATOM 0 HD13 LEU A 127 10.489 0.914 -1.790 1.00 2.00 H new ATOM 0 HD21 LEU A 127 12.462 2.950 -0.625 1.00 0.91 H new ATOM 0 HD22 LEU A 127 12.829 1.246 -0.988 1.00 0.91 H new ATOM 0 HD23 LEU A 127 13.833 2.540 -1.684 1.00 0.91 H new ATOM 1723 N GLN A 128 13.770 0.505 -6.352 1.00 0.38 N ATOM 1724 CA GLN A 128 14.446 -0.550 -7.152 1.00 0.33 C ATOM 1725 C GLN A 128 15.847 -0.071 -7.548 1.00 0.32 C ATOM 1726 O GLN A 128 16.778 -0.847 -7.631 1.00 0.29 O ATOM 1727 CB GLN A 128 13.627 -0.844 -8.411 1.00 0.27 C ATOM 1728 CG GLN A 128 13.230 -2.321 -8.426 1.00 0.42 C ATOM 1729 CD GLN A 128 12.716 -2.705 -9.815 1.00 0.56 C ATOM 1730 OE1 GLN A 128 11.550 -3.004 -9.983 1.00 1.14 O ATOM 1731 NE2 GLN A 128 13.544 -2.712 -10.824 1.00 1.85 N ATOM 0 H GLN A 128 12.898 0.860 -6.746 1.00 0.38 H new ATOM 0 HA GLN A 128 14.529 -1.460 -6.557 1.00 0.33 H new ATOM 0 HB2 GLN A 128 12.736 -0.216 -8.433 1.00 0.27 H new ATOM 0 HB3 GLN A 128 14.209 -0.603 -9.301 1.00 0.27 H new ATOM 0 HG2 GLN A 128 14.087 -2.940 -8.161 1.00 0.42 H new ATOM 0 HG3 GLN A 128 12.459 -2.507 -7.678 1.00 0.42 H new ATOM 0 HE21 GLN A 128 14.522 -2.461 -10.683 1.00 1.85 H new ATOM 0 HE22 GLN A 128 13.213 -2.968 -11.754 1.00 1.85 H new ATOM 1740 N LYS A 129 16.001 1.204 -7.795 1.00 0.40 N ATOM 1741 CA LYS A 129 17.341 1.737 -8.187 1.00 0.48 C ATOM 1742 C LYS A 129 18.115 2.160 -6.936 1.00 0.61 C ATOM 1743 O LYS A 129 19.300 1.918 -6.816 1.00 0.71 O ATOM 1744 CB LYS A 129 17.159 2.948 -9.103 1.00 0.42 C ATOM 1745 CG LYS A 129 16.241 2.574 -10.268 1.00 0.24 C ATOM 1746 CD LYS A 129 15.404 3.790 -10.666 1.00 0.51 C ATOM 1747 CE LYS A 129 16.104 4.538 -11.802 1.00 0.70 C ATOM 1748 NZ LYS A 129 15.649 3.990 -13.111 1.00 1.01 N ATOM 0 H LYS A 129 15.257 1.900 -7.742 1.00 0.40 H new ATOM 0 HA LYS A 129 17.898 0.960 -8.712 1.00 0.48 H new ATOM 0 HB2 LYS A 129 16.732 3.780 -8.543 1.00 0.42 H new ATOM 0 HB3 LYS A 129 18.126 3.280 -9.480 1.00 0.42 H new ATOM 0 HG2 LYS A 129 16.833 2.233 -11.117 1.00 0.24 H new ATOM 0 HG3 LYS A 129 15.590 1.748 -9.981 1.00 0.24 H new ATOM 0 HD2 LYS A 129 14.410 3.474 -10.982 1.00 0.51 H new ATOM 0 HD3 LYS A 129 15.271 4.450 -9.809 1.00 0.51 H new ATOM 0 HE2 LYS A 129 15.879 5.603 -11.743 1.00 0.70 H new ATOM 0 HE3 LYS A 129 17.185 4.435 -11.708 1.00 0.70 H new ATOM 0 HZ1 LYS A 129 16.124 4.498 -13.884 1.00 1.01 H new ATOM 0 HZ2 LYS A 129 15.885 2.979 -13.165 1.00 1.01 H new ATOM 0 HZ3 LYS A 129 14.620 4.111 -13.199 1.00 1.01 H new ATOM 1762 N LYS A 130 17.453 2.790 -6.005 1.00 0.63 N ATOM 1763 CA LYS A 130 18.145 3.232 -4.758 1.00 0.80 C ATOM 1764 C LYS A 130 18.346 2.045 -3.818 1.00 0.65 C ATOM 1765 O LYS A 130 18.895 2.185 -2.742 1.00 0.53 O ATOM 1766 CB LYS A 130 17.290 4.293 -4.059 1.00 0.99 C ATOM 1767 CG LYS A 130 18.016 4.810 -2.818 1.00 1.15 C ATOM 1768 CD LYS A 130 17.318 4.274 -1.566 1.00 1.20 C ATOM 1769 CE LYS A 130 18.368 3.879 -0.525 1.00 1.44 C ATOM 1770 NZ LYS A 130 17.818 2.814 0.364 1.00 1.61 N ATOM 0 H LYS A 130 16.460 3.019 -6.053 1.00 0.63 H new ATOM 0 HA LYS A 130 19.119 3.648 -5.017 1.00 0.80 H new ATOM 0 HB2 LYS A 130 17.087 5.118 -4.742 1.00 0.99 H new ATOM 0 HB3 LYS A 130 16.326 3.868 -3.777 1.00 0.99 H new ATOM 0 HG2 LYS A 130 19.058 4.491 -2.833 1.00 1.15 H new ATOM 0 HG3 LYS A 130 18.016 5.900 -2.810 1.00 1.15 H new ATOM 0 HD2 LYS A 130 16.651 5.032 -1.156 1.00 1.20 H new ATOM 0 HD3 LYS A 130 16.702 3.412 -1.821 1.00 1.20 H new ATOM 0 HE2 LYS A 130 19.270 3.522 -1.022 1.00 1.44 H new ATOM 0 HE3 LYS A 130 18.653 4.749 0.067 1.00 1.44 H new ATOM 0 HZ1 LYS A 130 18.579 2.157 0.631 1.00 1.61 H new ATOM 0 HZ2 LYS A 130 17.420 3.249 1.221 1.00 1.61 H new ATOM 0 HZ3 LYS A 130 17.072 2.293 -0.139 1.00 1.61 H new ATOM 1784 N ALA A 131 17.918 0.876 -4.205 1.00 0.69 N ATOM 1785 CA ALA A 131 18.101 -0.300 -3.324 1.00 0.55 C ATOM 1786 C ALA A 131 19.420 -0.984 -3.675 1.00 0.44 C ATOM 1787 O ALA A 131 19.478 -2.188 -3.828 1.00 0.62 O ATOM 1788 CB ALA A 131 16.942 -1.275 -3.535 1.00 0.84 C ATOM 0 H ALA A 131 17.451 0.689 -5.092 1.00 0.69 H new ATOM 0 HA ALA A 131 18.120 0.016 -2.281 1.00 0.55 H new ATOM 0 HB1 ALA A 131 17.074 -2.142 -2.888 1.00 0.84 H new ATOM 0 HB2 ALA A 131 16.002 -0.780 -3.292 1.00 0.84 H new ATOM 0 HB3 ALA A 131 16.924 -1.599 -4.576 1.00 0.84 H new ATOM 1794 N LYS A 132 20.485 -0.219 -3.808 1.00 0.37 N ATOM 1795 CA LYS A 132 21.818 -0.820 -4.152 1.00 0.59 C ATOM 1796 C LYS A 132 22.050 -2.088 -3.321 1.00 0.85 C ATOM 1797 O LYS A 132 21.627 -2.181 -2.186 1.00 0.85 O ATOM 1798 CB LYS A 132 22.927 0.192 -3.856 1.00 0.54 C ATOM 1799 CG LYS A 132 22.789 0.698 -2.419 1.00 0.60 C ATOM 1800 CD LYS A 132 24.009 0.264 -1.606 1.00 1.67 C ATOM 1801 CE LYS A 132 23.689 0.367 -0.114 1.00 1.75 C ATOM 1802 NZ LYS A 132 24.930 0.713 0.638 1.00 2.53 N ATOM 0 H LYS A 132 20.487 0.794 -3.693 1.00 0.37 H new ATOM 0 HA LYS A 132 21.831 -1.078 -5.211 1.00 0.59 H new ATOM 0 HB2 LYS A 132 23.903 -0.272 -3.997 1.00 0.54 H new ATOM 0 HB3 LYS A 132 22.867 1.027 -4.554 1.00 0.54 H new ATOM 0 HG2 LYS A 132 22.702 1.784 -2.412 1.00 0.60 H new ATOM 0 HG3 LYS A 132 21.879 0.302 -1.969 1.00 0.60 H new ATOM 0 HD2 LYS A 132 24.284 -0.760 -1.860 1.00 1.67 H new ATOM 0 HD3 LYS A 132 24.865 0.894 -1.850 1.00 1.67 H new ATOM 0 HE2 LYS A 132 22.926 1.127 0.054 1.00 1.75 H new ATOM 0 HE3 LYS A 132 23.283 -0.578 0.248 1.00 1.75 H new ATOM 0 HZ1 LYS A 132 24.713 0.783 1.653 1.00 2.53 H new ATOM 0 HZ2 LYS A 132 25.645 -0.027 0.487 1.00 2.53 H new ATOM 0 HZ3 LYS A 132 25.299 1.625 0.299 1.00 2.53 H new ATOM 1816 N ASN A 133 22.687 -3.079 -3.886 1.00 1.13 N ATOM 1817 CA ASN A 133 22.905 -4.345 -3.132 1.00 1.41 C ATOM 1818 C ASN A 133 21.540 -4.896 -2.729 1.00 1.38 C ATOM 1819 O ASN A 133 21.331 -5.344 -1.619 1.00 1.43 O ATOM 1820 CB ASN A 133 23.745 -4.074 -1.879 1.00 1.50 C ATOM 1821 CG ASN A 133 25.167 -3.690 -2.292 1.00 1.78 C ATOM 1822 OD1 ASN A 133 25.417 -3.380 -3.440 1.00 2.91 O ATOM 1823 ND2 ASN A 133 26.117 -3.696 -1.396 1.00 1.31 N ATOM 0 H ASN A 133 23.064 -3.066 -4.834 1.00 1.13 H new ATOM 0 HA ASN A 133 23.438 -5.065 -3.754 1.00 1.41 H new ATOM 0 HB2 ASN A 133 23.296 -3.272 -1.293 1.00 1.50 H new ATOM 0 HB3 ASN A 133 23.766 -4.959 -1.244 1.00 1.50 H new ATOM 0 HD21 ASN A 133 27.069 -3.440 -1.660 1.00 1.31 H new ATOM 0 HD22 ASN A 133 25.907 -3.956 -0.432 1.00 1.31 H new ATOM 1830 N LEU A 134 20.604 -4.841 -3.635 1.00 1.32 N ATOM 1831 CA LEU A 134 19.229 -5.330 -3.345 1.00 1.30 C ATOM 1832 C LEU A 134 18.326 -4.987 -4.530 1.00 1.67 C ATOM 1833 O LEU A 134 18.797 -4.759 -5.623 1.00 2.17 O ATOM 1834 CB LEU A 134 18.710 -4.639 -2.082 1.00 0.75 C ATOM 1835 CG LEU A 134 18.379 -5.688 -1.019 1.00 1.32 C ATOM 1836 CD1 LEU A 134 17.925 -4.991 0.264 1.00 1.32 C ATOM 1837 CD2 LEU A 134 17.257 -6.597 -1.528 1.00 2.40 C ATOM 0 H LEU A 134 20.736 -4.473 -4.577 1.00 1.32 H new ATOM 0 HA LEU A 134 19.235 -6.409 -3.190 1.00 1.30 H new ATOM 0 HB2 LEU A 134 19.460 -3.945 -1.701 1.00 0.75 H new ATOM 0 HB3 LEU A 134 17.822 -4.052 -2.316 1.00 0.75 H new ATOM 0 HG LEU A 134 19.267 -6.286 -0.813 1.00 1.32 H new ATOM 0 HD11 LEU A 134 17.689 -5.739 1.021 1.00 1.32 H new ATOM 0 HD12 LEU A 134 18.723 -4.345 0.629 1.00 1.32 H new ATOM 0 HD13 LEU A 134 17.038 -4.391 0.058 1.00 1.32 H new ATOM 0 HD21 LEU A 134 17.022 -7.344 -0.770 1.00 2.40 H new ATOM 0 HD22 LEU A 134 16.370 -5.999 -1.735 1.00 2.40 H new ATOM 0 HD23 LEU A 134 17.579 -7.096 -2.442 1.00 2.40 H new ATOM 1849 N ASP A 135 17.037 -4.960 -4.310 1.00 1.73 N ATOM 1850 CA ASP A 135 16.051 -4.640 -5.397 1.00 2.58 C ATOM 1851 C ASP A 135 15.692 -5.924 -6.150 1.00 1.64 C ATOM 1852 O ASP A 135 16.439 -6.882 -6.159 1.00 0.92 O ATOM 1853 CB ASP A 135 16.604 -3.539 -6.350 1.00 4.01 C ATOM 1854 CG ASP A 135 17.195 -4.128 -7.645 1.00 4.49 C ATOM 1855 OD1 ASP A 135 16.443 -4.719 -8.402 1.00 4.69 O ATOM 1856 OD2 ASP A 135 18.386 -3.968 -7.859 1.00 4.93 O ATOM 0 H ASP A 135 16.613 -5.150 -3.402 1.00 1.73 H new ATOM 0 HA ASP A 135 15.141 -4.236 -4.952 1.00 2.58 H new ATOM 0 HB2 ASP A 135 15.803 -2.844 -6.602 1.00 4.01 H new ATOM 0 HB3 ASP A 135 17.372 -2.965 -5.831 1.00 4.01 H new ATOM 1861 N ALA A 136 14.540 -5.954 -6.765 1.00 1.95 N ATOM 1862 CA ALA A 136 14.112 -7.174 -7.502 1.00 1.69 C ATOM 1863 C ALA A 136 13.749 -8.239 -6.488 1.00 1.28 C ATOM 1864 O ALA A 136 14.258 -9.342 -6.497 1.00 2.45 O ATOM 1865 CB ALA A 136 15.231 -7.678 -8.405 1.00 1.54 C ATOM 0 H ALA A 136 13.875 -5.181 -6.788 1.00 1.95 H new ATOM 0 HA ALA A 136 13.253 -6.939 -8.130 1.00 1.69 H new ATOM 0 HB1 ALA A 136 14.897 -8.570 -8.934 1.00 1.54 H new ATOM 0 HB2 ALA A 136 15.492 -6.904 -9.127 1.00 1.54 H new ATOM 0 HB3 ALA A 136 16.105 -7.920 -7.801 1.00 1.54 H new ATOM 1871 N ILE A 137 12.880 -7.882 -5.601 1.00 1.04 N ATOM 1872 CA ILE A 137 12.436 -8.803 -4.540 1.00 0.87 C ATOM 1873 C ILE A 137 11.271 -9.664 -5.072 1.00 1.28 C ATOM 1874 O ILE A 137 10.206 -9.744 -4.494 1.00 1.71 O ATOM 1875 CB ILE A 137 12.030 -7.913 -3.359 1.00 1.26 C ATOM 1876 CG1 ILE A 137 13.290 -7.487 -2.611 1.00 1.01 C ATOM 1877 CG2 ILE A 137 11.097 -8.629 -2.397 1.00 1.91 C ATOM 1878 CD1 ILE A 137 14.077 -6.487 -3.459 1.00 0.42 C ATOM 0 H ILE A 137 12.446 -6.960 -5.568 1.00 1.04 H new ATOM 0 HA ILE A 137 13.210 -9.501 -4.222 1.00 0.87 H new ATOM 0 HB ILE A 137 11.497 -7.048 -3.754 1.00 1.26 H new ATOM 0 HG12 ILE A 137 13.023 -7.037 -1.655 1.00 1.01 H new ATOM 0 HG13 ILE A 137 13.907 -8.358 -2.392 1.00 1.01 H new ATOM 0 HG21 ILE A 137 10.837 -7.960 -1.577 1.00 1.91 H new ATOM 0 HG22 ILE A 137 10.191 -8.928 -2.924 1.00 1.91 H new ATOM 0 HG23 ILE A 137 11.594 -9.514 -1.999 1.00 1.91 H new ATOM 0 HD11 ILE A 137 14.976 -6.184 -2.923 1.00 0.42 H new ATOM 0 HD12 ILE A 137 14.357 -6.952 -4.404 1.00 0.42 H new ATOM 0 HD13 ILE A 137 13.459 -5.611 -3.655 1.00 0.42 H new ATOM 1890 N THR A 138 11.476 -10.321 -6.180 1.00 1.43 N ATOM 1891 CA THR A 138 10.404 -11.180 -6.755 1.00 1.75 C ATOM 1892 C THR A 138 9.105 -10.383 -6.875 1.00 1.53 C ATOM 1893 O THR A 138 9.026 -9.238 -6.478 1.00 1.34 O ATOM 1894 CB THR A 138 10.176 -12.398 -5.854 1.00 1.99 C ATOM 1895 OG1 THR A 138 10.958 -12.277 -4.675 1.00 2.01 O ATOM 1896 CG2 THR A 138 10.580 -13.666 -6.607 1.00 2.43 C ATOM 0 H THR A 138 12.345 -10.299 -6.714 1.00 1.43 H new ATOM 0 HA THR A 138 10.712 -11.515 -7.745 1.00 1.75 H new ATOM 0 HB THR A 138 9.122 -12.454 -5.580 1.00 1.99 H new ATOM 0 HG1 THR A 138 10.808 -13.057 -4.101 1.00 2.01 H new ATOM 0 HG21 THR A 138 10.419 -14.535 -5.969 1.00 2.43 H new ATOM 0 HG22 THR A 138 9.976 -13.761 -7.509 1.00 2.43 H new ATOM 0 HG23 THR A 138 11.633 -13.607 -6.880 1.00 2.43 H new ATOM 1904 N THR A 139 8.091 -10.980 -7.433 1.00 1.56 N ATOM 1905 CA THR A 139 6.799 -10.269 -7.600 1.00 1.37 C ATOM 1906 C THR A 139 5.790 -11.223 -8.267 1.00 1.22 C ATOM 1907 O THR A 139 6.185 -12.089 -9.022 1.00 1.16 O ATOM 1908 CB THR A 139 7.045 -9.036 -8.476 1.00 1.11 C ATOM 1909 OG1 THR A 139 5.895 -8.205 -8.485 1.00 1.08 O ATOM 1910 CG2 THR A 139 7.384 -9.465 -9.905 1.00 0.87 C ATOM 0 H THR A 139 8.104 -11.938 -7.783 1.00 1.56 H new ATOM 0 HA THR A 139 6.394 -9.953 -6.639 1.00 1.37 H new ATOM 0 HB THR A 139 7.885 -8.477 -8.063 1.00 1.11 H new ATOM 0 HG1 THR A 139 5.443 -8.263 -7.618 1.00 1.08 H new ATOM 0 HG21 THR A 139 7.557 -8.581 -10.519 1.00 0.87 H new ATOM 0 HG22 THR A 139 8.282 -10.082 -9.896 1.00 0.87 H new ATOM 0 HG23 THR A 139 6.554 -10.038 -10.319 1.00 0.87 H new ATOM 1958 N THR A 143 0.261 -11.011 -14.159 1.00 0.81 N ATOM 1959 CA THR A 143 -0.572 -12.192 -14.508 1.00 0.47 C ATOM 1960 C THR A 143 -1.126 -12.797 -13.220 1.00 0.36 C ATOM 1961 O THR A 143 -2.265 -13.216 -13.161 1.00 0.12 O ATOM 1962 CB THR A 143 0.287 -13.227 -15.239 1.00 0.50 C ATOM 1963 OG1 THR A 143 1.388 -13.590 -14.418 1.00 0.90 O ATOM 1964 CG2 THR A 143 0.801 -12.629 -16.549 1.00 0.99 C ATOM 0 HA THR A 143 -1.393 -11.891 -15.158 1.00 0.47 H new ATOM 0 HB THR A 143 -0.312 -14.111 -15.455 1.00 0.50 H new ATOM 0 HG1 THR A 143 1.632 -12.834 -13.844 1.00 0.90 H new ATOM 0 HG21 THR A 143 1.413 -13.366 -17.070 1.00 0.99 H new ATOM 0 HG22 THR A 143 -0.044 -12.349 -17.178 1.00 0.99 H new ATOM 0 HG23 THR A 143 1.402 -11.745 -16.335 1.00 0.99 H new ATOM 1972 N THR A 144 -0.339 -12.829 -12.176 1.00 0.58 N ATOM 1973 CA THR A 144 -0.846 -13.387 -10.893 1.00 0.56 C ATOM 1974 C THR A 144 -1.636 -12.290 -10.185 1.00 0.49 C ATOM 1975 O THR A 144 -2.632 -12.536 -9.525 1.00 0.45 O ATOM 1976 CB THR A 144 0.333 -13.827 -10.022 1.00 0.72 C ATOM 1977 OG1 THR A 144 1.364 -14.345 -10.852 1.00 1.06 O ATOM 1978 CG2 THR A 144 -0.126 -14.908 -9.042 1.00 0.70 C ATOM 0 H THR A 144 0.625 -12.495 -12.158 1.00 0.58 H new ATOM 0 HA THR A 144 -1.483 -14.252 -11.076 1.00 0.56 H new ATOM 0 HB THR A 144 0.710 -12.971 -9.462 1.00 0.72 H new ATOM 0 HG1 THR A 144 2.121 -14.626 -10.297 1.00 1.06 H new ATOM 0 HG21 THR A 144 0.716 -15.219 -8.423 1.00 0.70 H new ATOM 0 HG22 THR A 144 -0.917 -14.510 -8.406 1.00 0.70 H new ATOM 0 HG23 THR A 144 -0.505 -15.766 -9.598 1.00 0.70 H new ATOM 1986 N ASN A 145 -1.206 -11.070 -10.343 1.00 0.50 N ATOM 1987 CA ASN A 145 -1.930 -9.942 -9.711 1.00 0.45 C ATOM 1988 C ASN A 145 -3.243 -9.712 -10.457 1.00 0.44 C ATOM 1989 O ASN A 145 -4.105 -8.997 -9.997 1.00 0.52 O ATOM 1990 CB ASN A 145 -1.074 -8.677 -9.761 1.00 0.50 C ATOM 1991 CG ASN A 145 -0.711 -8.269 -8.334 1.00 0.45 C ATOM 1992 OD1 ASN A 145 -1.624 -8.331 -7.403 1.00 0.50 O flip ATOM 1993 ND2 ASN A 145 0.412 -7.892 -8.062 1.00 0.38 N flip ATOM 0 H ASN A 145 -0.382 -10.809 -10.884 1.00 0.50 H new ATOM 0 HA ASN A 145 -2.138 -10.181 -8.668 1.00 0.45 H new ATOM 0 HB2 ASN A 145 -0.170 -8.856 -10.343 1.00 0.50 H new ATOM 0 HB3 ASN A 145 -1.618 -7.873 -10.256 1.00 0.50 H new ATOM 0 HD21 ASN A 145 1.124 -7.844 -8.790 1.00 0.38 H new ATOM 0 HD22 ASN A 145 0.642 -7.624 -7.105 1.00 0.38 H new ATOM 2000 N ALA A 146 -3.415 -10.332 -11.595 1.00 0.35 N ATOM 2001 CA ALA A 146 -4.690 -10.168 -12.333 1.00 0.37 C ATOM 2002 C ALA A 146 -5.724 -11.050 -11.646 1.00 0.36 C ATOM 2003 O ALA A 146 -6.902 -10.752 -11.627 1.00 0.38 O ATOM 2004 CB ALA A 146 -4.509 -10.608 -13.787 1.00 0.40 C ATOM 0 H ALA A 146 -2.728 -10.941 -12.039 1.00 0.35 H new ATOM 0 HA ALA A 146 -5.009 -9.126 -12.332 1.00 0.37 H new ATOM 0 HB1 ALA A 146 -5.449 -10.485 -14.324 1.00 0.40 H new ATOM 0 HB2 ALA A 146 -3.739 -9.997 -14.259 1.00 0.40 H new ATOM 0 HB3 ALA A 146 -4.209 -11.656 -13.815 1.00 0.40 H new ATOM 2010 N SER A 147 -5.279 -12.126 -11.055 1.00 0.36 N ATOM 2011 CA SER A 147 -6.221 -13.021 -10.337 1.00 0.39 C ATOM 2012 C SER A 147 -6.597 -12.356 -9.014 1.00 0.41 C ATOM 2013 O SER A 147 -7.743 -12.342 -8.626 1.00 0.42 O ATOM 2014 CB SER A 147 -5.553 -14.369 -10.065 1.00 0.48 C ATOM 2015 OG SER A 147 -6.554 -15.336 -9.774 1.00 0.84 O ATOM 0 H SER A 147 -4.303 -12.421 -11.040 1.00 0.36 H new ATOM 0 HA SER A 147 -7.112 -13.190 -10.942 1.00 0.39 H new ATOM 0 HB2 SER A 147 -4.970 -14.681 -10.931 1.00 0.48 H new ATOM 0 HB3 SER A 147 -4.860 -14.283 -9.228 1.00 0.48 H new ATOM 0 HG SER A 147 -6.131 -16.203 -9.600 1.00 0.84 H new ATOM 2021 N LEU A 148 -5.648 -11.783 -8.322 1.00 0.41 N ATOM 2022 CA LEU A 148 -5.996 -11.104 -7.041 1.00 0.42 C ATOM 2023 C LEU A 148 -6.981 -9.975 -7.352 1.00 0.37 C ATOM 2024 O LEU A 148 -7.992 -9.821 -6.701 1.00 0.35 O ATOM 2025 CB LEU A 148 -4.728 -10.521 -6.388 1.00 0.47 C ATOM 2026 CG LEU A 148 -5.102 -9.435 -5.358 1.00 0.50 C ATOM 2027 CD1 LEU A 148 -5.962 -10.039 -4.248 1.00 0.48 C ATOM 2028 CD2 LEU A 148 -3.839 -8.842 -4.752 1.00 0.76 C ATOM 0 H LEU A 148 -4.662 -11.755 -8.583 1.00 0.41 H new ATOM 0 HA LEU A 148 -6.443 -11.819 -6.350 1.00 0.42 H new ATOM 0 HB2 LEU A 148 -4.165 -11.316 -5.899 1.00 0.47 H new ATOM 0 HB3 LEU A 148 -4.080 -10.096 -7.154 1.00 0.47 H new ATOM 0 HG LEU A 148 -5.666 -8.651 -5.863 1.00 0.50 H new ATOM 0 HD11 LEU A 148 -6.221 -9.265 -3.526 1.00 0.48 H new ATOM 0 HD12 LEU A 148 -6.874 -10.453 -4.679 1.00 0.48 H new ATOM 0 HD13 LEU A 148 -5.406 -10.831 -3.747 1.00 0.48 H new ATOM 0 HD21 LEU A 148 -4.109 -8.076 -4.025 1.00 0.76 H new ATOM 0 HD22 LEU A 148 -3.270 -9.628 -4.256 1.00 0.76 H new ATOM 0 HD23 LEU A 148 -3.232 -8.397 -5.540 1.00 0.76 H new ATOM 2040 N LEU A 149 -6.670 -9.173 -8.329 1.00 0.37 N ATOM 2041 CA LEU A 149 -7.564 -8.039 -8.676 1.00 0.35 C ATOM 2042 C LEU A 149 -8.901 -8.580 -9.172 1.00 0.33 C ATOM 2043 O LEU A 149 -9.924 -7.949 -9.018 1.00 0.36 O ATOM 2044 CB LEU A 149 -6.911 -7.183 -9.767 1.00 0.37 C ATOM 2045 CG LEU A 149 -7.765 -5.940 -10.038 1.00 0.42 C ATOM 2046 CD1 LEU A 149 -8.006 -5.175 -8.733 1.00 0.43 C ATOM 2047 CD2 LEU A 149 -7.030 -5.031 -11.027 1.00 0.49 C ATOM 0 H LEU A 149 -5.831 -9.255 -8.904 1.00 0.37 H new ATOM 0 HA LEU A 149 -7.731 -7.423 -7.792 1.00 0.35 H new ATOM 0 HB2 LEU A 149 -5.909 -6.886 -9.457 1.00 0.37 H new ATOM 0 HB3 LEU A 149 -6.802 -7.766 -10.682 1.00 0.37 H new ATOM 0 HG LEU A 149 -8.724 -6.247 -10.455 1.00 0.42 H new ATOM 0 HD11 LEU A 149 -8.614 -4.293 -8.935 1.00 0.43 H new ATOM 0 HD12 LEU A 149 -8.526 -5.819 -8.024 1.00 0.43 H new ATOM 0 HD13 LEU A 149 -7.050 -4.867 -8.310 1.00 0.43 H new ATOM 0 HD21 LEU A 149 -7.633 -4.145 -11.224 1.00 0.49 H new ATOM 0 HD22 LEU A 149 -6.072 -4.731 -10.603 1.00 0.49 H new ATOM 0 HD23 LEU A 149 -6.861 -5.569 -11.960 1.00 0.49 H new ATOM 2059 N THR A 150 -8.910 -9.753 -9.747 1.00 0.38 N ATOM 2060 CA THR A 150 -10.200 -10.323 -10.215 1.00 0.40 C ATOM 2061 C THR A 150 -10.988 -10.767 -8.974 1.00 0.48 C ATOM 2062 O THR A 150 -12.203 -10.816 -8.972 1.00 0.60 O ATOM 2063 CB THR A 150 -9.935 -11.492 -11.197 1.00 0.42 C ATOM 2064 OG1 THR A 150 -10.995 -11.550 -12.141 1.00 0.61 O ATOM 2065 CG2 THR A 150 -9.836 -12.846 -10.478 1.00 0.78 C ATOM 0 H THR A 150 -8.087 -10.334 -9.910 1.00 0.38 H new ATOM 0 HA THR A 150 -10.788 -9.586 -10.762 1.00 0.40 H new ATOM 0 HB THR A 150 -8.980 -11.304 -11.687 1.00 0.42 H new ATOM 0 HG1 THR A 150 -10.835 -12.286 -12.768 1.00 0.61 H new ATOM 0 HG21 THR A 150 -9.650 -13.633 -11.209 1.00 0.78 H new ATOM 0 HG22 THR A 150 -9.017 -12.817 -9.759 1.00 0.78 H new ATOM 0 HG23 THR A 150 -10.771 -13.050 -9.955 1.00 0.78 H new ATOM 2073 N LYS A 151 -10.284 -11.071 -7.912 1.00 0.45 N ATOM 2074 CA LYS A 151 -10.952 -11.490 -6.653 1.00 0.55 C ATOM 2075 C LYS A 151 -11.571 -10.259 -5.992 1.00 0.49 C ATOM 2076 O LYS A 151 -12.682 -10.300 -5.504 1.00 0.51 O ATOM 2077 CB LYS A 151 -9.917 -12.112 -5.713 1.00 0.76 C ATOM 2078 CG LYS A 151 -10.604 -12.574 -4.428 1.00 1.02 C ATOM 2079 CD LYS A 151 -9.851 -12.016 -3.219 1.00 1.53 C ATOM 2080 CE LYS A 151 -10.574 -10.775 -2.695 1.00 2.20 C ATOM 2081 NZ LYS A 151 -11.620 -11.186 -1.716 1.00 2.64 N ATOM 0 H LYS A 151 -9.265 -11.045 -7.869 1.00 0.45 H new ATOM 0 HA LYS A 151 -11.729 -12.224 -6.868 1.00 0.55 H new ATOM 0 HB2 LYS A 151 -9.429 -12.956 -6.200 1.00 0.76 H new ATOM 0 HB3 LYS A 151 -9.139 -11.385 -5.480 1.00 0.76 H new ATOM 0 HG2 LYS A 151 -11.639 -12.234 -4.414 1.00 1.02 H new ATOM 0 HG3 LYS A 151 -10.626 -13.663 -4.386 1.00 1.02 H new ATOM 0 HD2 LYS A 151 -9.789 -12.771 -2.436 1.00 1.53 H new ATOM 0 HD3 LYS A 151 -8.829 -11.763 -3.499 1.00 1.53 H new ATOM 0 HE2 LYS A 151 -9.862 -10.099 -2.221 1.00 2.20 H new ATOM 0 HE3 LYS A 151 -11.029 -10.230 -3.522 1.00 2.20 H new ATOM 0 HZ1 LYS A 151 -12.146 -10.347 -1.397 1.00 2.64 H new ATOM 0 HZ2 LYS A 151 -12.275 -11.855 -2.169 1.00 2.64 H new ATOM 0 HZ3 LYS A 151 -11.169 -11.643 -0.898 1.00 2.64 H new ATOM 2095 N LEU A 152 -10.874 -9.149 -5.996 1.00 0.47 N ATOM 2096 CA LEU A 152 -11.459 -7.922 -5.390 1.00 0.54 C ATOM 2097 C LEU A 152 -12.653 -7.530 -6.248 1.00 0.43 C ATOM 2098 O LEU A 152 -13.654 -7.039 -5.766 1.00 0.60 O ATOM 2099 CB LEU A 152 -10.456 -6.755 -5.392 1.00 0.60 C ATOM 2100 CG LEU A 152 -9.008 -7.245 -5.266 1.00 0.57 C ATOM 2101 CD1 LEU A 152 -8.096 -6.042 -5.043 1.00 0.79 C ATOM 2102 CD2 LEU A 152 -8.872 -8.199 -4.079 1.00 0.32 C ATOM 0 H LEU A 152 -9.938 -9.043 -6.388 1.00 0.47 H new ATOM 0 HA LEU A 152 -11.736 -8.126 -4.356 1.00 0.54 H new ATOM 0 HB2 LEU A 152 -10.567 -6.183 -6.313 1.00 0.60 H new ATOM 0 HB3 LEU A 152 -10.684 -6.079 -4.568 1.00 0.60 H new ATOM 0 HG LEU A 152 -8.728 -7.771 -6.179 1.00 0.57 H new ATOM 0 HD11 LEU A 152 -7.064 -6.380 -4.952 1.00 0.79 H new ATOM 0 HD12 LEU A 152 -8.181 -5.359 -5.888 1.00 0.79 H new ATOM 0 HD13 LEU A 152 -8.391 -5.526 -4.129 1.00 0.79 H new ATOM 0 HD21 LEU A 152 -7.839 -8.539 -4.002 1.00 0.32 H new ATOM 0 HD22 LEU A 152 -9.153 -7.681 -3.162 1.00 0.32 H new ATOM 0 HD23 LEU A 152 -9.527 -9.058 -4.226 1.00 0.32 H new ATOM 2114 N GLN A 153 -12.541 -7.745 -7.530 1.00 0.22 N ATOM 2115 CA GLN A 153 -13.650 -7.394 -8.448 1.00 0.33 C ATOM 2116 C GLN A 153 -14.632 -8.566 -8.565 1.00 0.37 C ATOM 2117 O GLN A 153 -15.668 -8.456 -9.191 1.00 0.80 O ATOM 2118 CB GLN A 153 -13.081 -7.068 -9.832 1.00 0.36 C ATOM 2119 CG GLN A 153 -12.243 -5.791 -9.755 1.00 0.55 C ATOM 2120 CD GLN A 153 -12.126 -5.172 -11.149 1.00 1.29 C ATOM 2121 OE1 GLN A 153 -12.386 -3.998 -11.330 1.00 1.72 O ATOM 2122 NE2 GLN A 153 -11.741 -5.916 -12.149 1.00 2.30 N ATOM 0 H GLN A 153 -11.721 -8.152 -7.980 1.00 0.22 H new ATOM 0 HA GLN A 153 -14.178 -6.527 -8.051 1.00 0.33 H new ATOM 0 HB2 GLN A 153 -12.468 -7.896 -10.189 1.00 0.36 H new ATOM 0 HB3 GLN A 153 -13.892 -6.940 -10.549 1.00 0.36 H new ATOM 0 HG2 GLN A 153 -12.704 -5.082 -9.068 1.00 0.55 H new ATOM 0 HG3 GLN A 153 -11.252 -6.017 -9.362 1.00 0.55 H new ATOM 0 HE21 GLN A 153 -11.523 -6.901 -11.998 1.00 2.30 H new ATOM 0 HE22 GLN A 153 -11.658 -5.513 -13.082 1.00 2.30 H new ATOM 2131 N ALA A 154 -14.324 -9.689 -7.969 1.00 0.12 N ATOM 2132 CA ALA A 154 -15.250 -10.853 -8.056 1.00 0.21 C ATOM 2133 C ALA A 154 -16.194 -10.849 -6.851 1.00 0.08 C ATOM 2134 O ALA A 154 -16.647 -11.884 -6.402 1.00 0.27 O ATOM 2135 CB ALA A 154 -14.440 -12.151 -8.060 1.00 0.52 C ATOM 0 H ALA A 154 -13.474 -9.848 -7.428 1.00 0.12 H new ATOM 0 HA ALA A 154 -15.832 -10.783 -8.975 1.00 0.21 H new ATOM 0 HB1 ALA A 154 -15.118 -13.002 -8.124 1.00 0.52 H new ATOM 0 HB2 ALA A 154 -13.767 -12.158 -8.918 1.00 0.52 H new ATOM 0 HB3 ALA A 154 -13.857 -12.219 -7.141 1.00 0.52 H new ATOM 2141 N GLN A 155 -16.496 -9.694 -6.322 1.00 0.66 N ATOM 2142 CA GLN A 155 -17.411 -9.626 -5.148 1.00 0.96 C ATOM 2143 C GLN A 155 -18.754 -9.041 -5.593 1.00 1.13 C ATOM 2144 O GLN A 155 -18.965 -8.764 -6.757 1.00 1.23 O ATOM 2145 CB GLN A 155 -16.797 -8.731 -4.066 1.00 1.24 C ATOM 2146 CG GLN A 155 -15.295 -9.020 -3.936 1.00 1.31 C ATOM 2147 CD GLN A 155 -15.093 -10.458 -3.457 1.00 1.25 C ATOM 2148 OE1 GLN A 155 -15.444 -11.396 -4.145 1.00 1.83 O ATOM 2149 NE2 GLN A 155 -14.534 -10.674 -2.297 1.00 1.08 N ATOM 0 H GLN A 155 -16.148 -8.794 -6.653 1.00 0.66 H new ATOM 0 HA GLN A 155 -17.561 -10.627 -4.743 1.00 0.96 H new ATOM 0 HB2 GLN A 155 -16.953 -7.682 -4.318 1.00 1.24 H new ATOM 0 HB3 GLN A 155 -17.294 -8.907 -3.112 1.00 1.24 H new ATOM 0 HG2 GLN A 155 -14.801 -8.872 -4.896 1.00 1.31 H new ATOM 0 HG3 GLN A 155 -14.839 -8.323 -3.232 1.00 1.31 H new ATOM 0 HE21 GLN A 155 -14.239 -9.887 -1.719 1.00 1.08 H new ATOM 0 HE22 GLN A 155 -14.392 -11.629 -1.969 1.00 1.08 H new ATOM 2158 N ASN A 156 -19.664 -8.851 -4.677 1.00 1.37 N ATOM 2159 CA ASN A 156 -20.990 -8.284 -5.057 1.00 1.56 C ATOM 2160 C ASN A 156 -21.143 -6.889 -4.456 1.00 1.44 C ATOM 2161 O ASN A 156 -22.183 -6.549 -3.931 1.00 2.96 O ATOM 2162 CB ASN A 156 -22.108 -9.192 -4.535 1.00 2.03 C ATOM 2163 CG ASN A 156 -21.795 -9.624 -3.101 1.00 1.14 C ATOM 2164 OD1 ASN A 156 -21.277 -8.853 -2.319 1.00 2.33 O ATOM 2165 ND2 ASN A 156 -22.095 -10.837 -2.720 1.00 1.04 N ATOM 0 H ASN A 156 -19.548 -9.063 -3.686 1.00 1.37 H new ATOM 0 HA ASN A 156 -21.055 -8.219 -6.143 1.00 1.56 H new ATOM 0 HB2 ASN A 156 -23.062 -8.665 -4.566 1.00 2.03 H new ATOM 0 HB3 ASN A 156 -22.207 -10.068 -5.176 1.00 2.03 H new ATOM 0 HD21 ASN A 156 -21.894 -11.136 -1.766 1.00 1.04 H new ATOM 0 HD22 ASN A 156 -22.530 -11.485 -3.377 1.00 1.04 H new ATOM 2172 N GLN A 157 -20.103 -6.086 -4.533 1.00 1.30 N ATOM 2173 CA GLN A 157 -20.130 -4.691 -3.979 1.00 1.00 C ATOM 2174 C GLN A 157 -19.875 -4.702 -2.467 1.00 0.65 C ATOM 2175 O GLN A 157 -19.224 -3.825 -1.937 1.00 0.52 O ATOM 2176 CB GLN A 157 -21.473 -4.026 -4.261 1.00 1.04 C ATOM 2177 CG GLN A 157 -21.356 -2.526 -3.989 1.00 1.29 C ATOM 2178 CD GLN A 157 -22.553 -1.796 -4.597 1.00 1.17 C ATOM 2179 OE1 GLN A 157 -23.626 -2.355 -4.711 1.00 0.99 O ATOM 2180 NE2 GLN A 157 -22.414 -0.561 -4.992 1.00 1.97 N ATOM 0 H GLN A 157 -19.217 -6.347 -4.967 1.00 1.30 H new ATOM 0 HA GLN A 157 -19.339 -4.123 -4.469 1.00 1.00 H new ATOM 0 HB2 GLN A 157 -21.768 -4.198 -5.296 1.00 1.04 H new ATOM 0 HB3 GLN A 157 -22.248 -4.463 -3.632 1.00 1.04 H new ATOM 0 HG2 GLN A 157 -21.314 -2.344 -2.915 1.00 1.29 H new ATOM 0 HG3 GLN A 157 -20.429 -2.141 -4.414 1.00 1.29 H new ATOM 0 HE21 GLN A 157 -21.513 -0.093 -4.896 1.00 1.97 H new ATOM 0 HE22 GLN A 157 -23.207 -0.063 -5.397 1.00 1.97 H new ATOM 2189 N TRP A 158 -20.387 -5.672 -1.767 1.00 0.63 N ATOM 2190 CA TRP A 158 -20.179 -5.731 -0.301 1.00 0.44 C ATOM 2191 C TRP A 158 -18.686 -5.891 0.004 1.00 0.29 C ATOM 2192 O TRP A 158 -18.041 -4.989 0.503 1.00 0.14 O ATOM 2193 CB TRP A 158 -20.943 -6.932 0.249 1.00 0.75 C ATOM 2194 CG TRP A 158 -20.834 -6.949 1.735 1.00 0.76 C ATOM 2195 CD1 TRP A 158 -20.180 -7.888 2.453 1.00 1.30 C ATOM 2196 CD2 TRP A 158 -21.376 -5.999 2.697 1.00 0.65 C ATOM 2197 NE1 TRP A 158 -20.289 -7.579 3.796 1.00 1.30 N ATOM 2198 CE2 TRP A 158 -21.018 -6.422 3.997 1.00 0.70 C ATOM 2199 CE3 TRP A 158 -22.139 -4.825 2.567 1.00 1.16 C ATOM 2200 CZ2 TRP A 158 -21.405 -5.705 5.132 1.00 0.55 C ATOM 2201 CZ3 TRP A 158 -22.529 -4.100 3.705 1.00 1.40 C ATOM 2202 CH2 TRP A 158 -22.161 -4.540 4.984 1.00 0.92 C ATOM 0 H TRP A 158 -20.946 -6.433 -2.154 1.00 0.63 H new ATOM 0 HA TRP A 158 -20.539 -4.812 0.163 1.00 0.44 H new ATOM 0 HB2 TRP A 158 -21.990 -6.879 -0.049 1.00 0.75 H new ATOM 0 HB3 TRP A 158 -20.540 -7.855 -0.167 1.00 0.75 H new ATOM 0 HD1 TRP A 158 -19.658 -8.740 2.045 1.00 1.30 H new ATOM 0 HE1 TRP A 158 -19.881 -8.137 4.547 1.00 1.30 H new ATOM 0 HE3 TRP A 158 -22.427 -4.478 1.586 1.00 1.16 H new ATOM 0 HZ2 TRP A 158 -21.122 -6.049 6.116 1.00 0.55 H new ATOM 0 HZ3 TRP A 158 -23.115 -3.200 3.594 1.00 1.40 H new ATOM 0 HH2 TRP A 158 -22.462 -3.978 5.856 1.00 0.92 H new ATOM 2213 N LEU A 159 -18.134 -7.034 -0.295 1.00 0.33 N ATOM 2214 CA LEU A 159 -16.688 -7.259 -0.026 1.00 0.25 C ATOM 2215 C LEU A 159 -15.863 -6.336 -0.924 1.00 0.29 C ATOM 2216 O LEU A 159 -14.788 -5.898 -0.562 1.00 0.34 O ATOM 2217 CB LEU A 159 -16.333 -8.720 -0.314 1.00 0.31 C ATOM 2218 CG LEU A 159 -16.955 -9.616 0.758 1.00 0.02 C ATOM 2219 CD1 LEU A 159 -16.840 -11.083 0.336 1.00 0.54 C ATOM 2220 CD2 LEU A 159 -16.216 -9.410 2.082 1.00 0.65 C ATOM 0 H LEU A 159 -18.624 -7.824 -0.715 1.00 0.33 H new ATOM 0 HA LEU A 159 -16.469 -7.041 1.019 1.00 0.25 H new ATOM 0 HB2 LEU A 159 -16.699 -9.007 -1.300 1.00 0.31 H new ATOM 0 HB3 LEU A 159 -15.250 -8.847 -0.326 1.00 0.31 H new ATOM 0 HG LEU A 159 -18.007 -9.357 0.879 1.00 0.02 H new ATOM 0 HD11 LEU A 159 -17.284 -11.718 1.102 1.00 0.54 H new ATOM 0 HD12 LEU A 159 -17.365 -11.232 -0.608 1.00 0.54 H new ATOM 0 HD13 LEU A 159 -15.789 -11.345 0.212 1.00 0.54 H new ATOM 0 HD21 LEU A 159 -16.657 -10.048 2.848 1.00 0.65 H new ATOM 0 HD22 LEU A 159 -15.165 -9.669 1.956 1.00 0.65 H new ATOM 0 HD23 LEU A 159 -16.299 -8.367 2.386 1.00 0.65 H new ATOM 2232 N GLN A 160 -16.366 -6.023 -2.088 1.00 0.46 N ATOM 2233 CA GLN A 160 -15.620 -5.114 -3.001 1.00 0.48 C ATOM 2234 C GLN A 160 -15.512 -3.741 -2.338 1.00 0.35 C ATOM 2235 O GLN A 160 -14.592 -2.988 -2.584 1.00 0.36 O ATOM 2236 CB GLN A 160 -16.376 -4.987 -4.327 1.00 0.63 C ATOM 2237 CG GLN A 160 -15.678 -3.967 -5.230 1.00 1.31 C ATOM 2238 CD GLN A 160 -16.306 -4.006 -6.624 1.00 0.90 C ATOM 2239 OE1 GLN A 160 -17.453 -4.375 -6.777 1.00 0.60 O ATOM 2240 NE2 GLN A 160 -15.597 -3.639 -7.656 1.00 1.88 N ATOM 0 H GLN A 160 -17.261 -6.358 -2.445 1.00 0.46 H new ATOM 0 HA GLN A 160 -14.625 -5.513 -3.196 1.00 0.48 H new ATOM 0 HB2 GLN A 160 -16.420 -5.956 -4.825 1.00 0.63 H new ATOM 0 HB3 GLN A 160 -17.404 -4.677 -4.141 1.00 0.63 H new ATOM 0 HG2 GLN A 160 -15.770 -2.967 -4.806 1.00 1.31 H new ATOM 0 HG3 GLN A 160 -14.613 -4.190 -5.293 1.00 1.31 H new ATOM 0 HE21 GLN A 160 -14.634 -3.329 -7.529 1.00 1.88 H new ATOM 0 HE22 GLN A 160 -16.006 -3.662 -8.590 1.00 1.88 H new ATOM 2249 N ASP A 161 -16.446 -3.419 -1.487 1.00 0.37 N ATOM 2250 CA ASP A 161 -16.402 -2.107 -0.794 1.00 0.25 C ATOM 2251 C ASP A 161 -15.451 -2.215 0.393 1.00 0.14 C ATOM 2252 O ASP A 161 -14.814 -1.256 0.781 1.00 0.08 O ATOM 2253 CB ASP A 161 -17.802 -1.740 -0.295 1.00 0.33 C ATOM 2254 CG ASP A 161 -17.822 -0.271 0.130 1.00 0.32 C ATOM 2255 OD1 ASP A 161 -17.440 0.563 -0.674 1.00 1.03 O ATOM 2256 OD2 ASP A 161 -18.217 -0.005 1.253 1.00 0.64 O ATOM 0 H ASP A 161 -17.239 -4.012 -1.243 1.00 0.37 H new ATOM 0 HA ASP A 161 -16.056 -1.336 -1.482 1.00 0.25 H new ATOM 0 HB2 ASP A 161 -18.537 -1.912 -1.081 1.00 0.33 H new ATOM 0 HB3 ASP A 161 -18.079 -2.377 0.545 1.00 0.33 H new ATOM 2261 N MET A 162 -15.347 -3.381 0.974 1.00 0.20 N ATOM 2262 CA MET A 162 -14.433 -3.544 2.133 1.00 0.12 C ATOM 2263 C MET A 162 -12.981 -3.448 1.643 1.00 0.23 C ATOM 2264 O MET A 162 -12.096 -3.026 2.358 1.00 0.29 O ATOM 2265 CB MET A 162 -14.723 -4.893 2.838 1.00 0.19 C ATOM 2266 CG MET A 162 -13.986 -6.072 2.178 1.00 0.98 C ATOM 2267 SD MET A 162 -12.732 -6.718 3.319 1.00 0.87 S ATOM 2268 CE MET A 162 -11.381 -5.605 2.852 1.00 0.22 C ATOM 0 H MET A 162 -15.854 -4.221 0.695 1.00 0.20 H new ATOM 0 HA MET A 162 -14.595 -2.752 2.864 1.00 0.12 H new ATOM 0 HB2 MET A 162 -14.427 -4.823 3.885 1.00 0.19 H new ATOM 0 HB3 MET A 162 -15.796 -5.084 2.822 1.00 0.19 H new ATOM 0 HG2 MET A 162 -14.695 -6.858 1.918 1.00 0.98 H new ATOM 0 HG3 MET A 162 -13.515 -5.747 1.250 1.00 0.98 H new ATOM 0 HE1 MET A 162 -10.431 -6.030 3.176 1.00 0.22 H new ATOM 0 HE2 MET A 162 -11.372 -5.478 1.769 1.00 0.22 H new ATOM 0 HE3 MET A 162 -11.526 -4.636 3.330 1.00 0.22 H new ATOM 2278 N THR A 163 -12.743 -3.838 0.418 1.00 0.36 N ATOM 2279 CA THR A 163 -11.364 -3.782 -0.146 1.00 0.51 C ATOM 2280 C THR A 163 -10.829 -2.351 -0.077 1.00 0.52 C ATOM 2281 O THR A 163 -9.637 -2.124 -0.105 1.00 0.65 O ATOM 2282 CB THR A 163 -11.414 -4.245 -1.603 1.00 0.57 C ATOM 2283 OG1 THR A 163 -11.871 -5.590 -1.651 1.00 0.67 O ATOM 2284 CG2 THR A 163 -10.019 -4.156 -2.223 1.00 0.79 C ATOM 0 H THR A 163 -13.453 -4.196 -0.221 1.00 0.36 H new ATOM 0 HA THR A 163 -10.703 -4.430 0.430 1.00 0.51 H new ATOM 0 HB THR A 163 -12.095 -3.605 -2.164 1.00 0.57 H new ATOM 0 HG1 THR A 163 -12.823 -5.620 -1.422 1.00 0.67 H new ATOM 0 HG21 THR A 163 -10.060 -4.487 -3.261 1.00 0.79 H new ATOM 0 HG22 THR A 163 -9.669 -3.124 -2.185 1.00 0.79 H new ATOM 0 HG23 THR A 163 -9.332 -4.793 -1.666 1.00 0.79 H new ATOM 2292 N THR A 164 -11.695 -1.384 0.008 1.00 0.85 N ATOM 2293 CA THR A 164 -11.220 0.024 0.067 1.00 0.95 C ATOM 2294 C THR A 164 -10.686 0.342 1.469 1.00 0.86 C ATOM 2295 O THR A 164 -9.728 1.073 1.620 1.00 0.84 O ATOM 2296 CB THR A 164 -12.378 0.965 -0.267 1.00 1.18 C ATOM 2297 OG1 THR A 164 -13.391 0.240 -0.950 1.00 1.46 O ATOM 2298 CG2 THR A 164 -11.868 2.098 -1.159 1.00 0.94 C ATOM 0 H THR A 164 -12.707 -1.506 0.039 1.00 0.85 H new ATOM 0 HA THR A 164 -10.416 0.161 -0.657 1.00 0.95 H new ATOM 0 HB THR A 164 -12.789 1.383 0.652 1.00 1.18 H new ATOM 0 HG1 THR A 164 -14.040 -0.105 -0.302 1.00 1.46 H new ATOM 0 HG21 THR A 164 -12.691 2.771 -1.399 1.00 0.94 H new ATOM 0 HG22 THR A 164 -11.089 2.651 -0.635 1.00 0.94 H new ATOM 0 HG23 THR A 164 -11.460 1.681 -2.080 1.00 0.94 H new ATOM 2306 N HIS A 165 -11.294 -0.189 2.495 1.00 0.87 N ATOM 2307 CA HIS A 165 -10.808 0.111 3.878 1.00 0.87 C ATOM 2308 C HIS A 165 -9.536 -0.686 4.168 1.00 0.68 C ATOM 2309 O HIS A 165 -8.549 -0.143 4.615 1.00 0.82 O ATOM 2310 CB HIS A 165 -11.867 -0.265 4.924 1.00 1.08 C ATOM 2311 CG HIS A 165 -13.252 -0.070 4.373 1.00 1.60 C ATOM 2312 ND1 HIS A 165 -14.161 -1.109 4.308 1.00 2.88 N ATOM 2313 CD2 HIS A 165 -13.895 1.025 3.854 1.00 3.02 C ATOM 2314 CE1 HIS A 165 -15.290 -0.629 3.764 1.00 4.98 C ATOM 2315 NE2 HIS A 165 -15.185 0.670 3.469 1.00 5.17 N ATOM 0 H HIS A 165 -12.099 -0.812 2.440 1.00 0.87 H new ATOM 0 HA HIS A 165 -10.606 1.180 3.937 1.00 0.87 H new ATOM 0 HB2 HIS A 165 -11.734 -1.304 5.226 1.00 1.08 H new ATOM 0 HB3 HIS A 165 -11.736 0.346 5.817 1.00 1.08 H new ATOM 0 HD2 HIS A 165 -13.466 2.012 3.759 1.00 3.02 H new ATOM 0 HE1 HIS A 165 -16.176 -1.221 3.586 1.00 4.98 H new ATOM 0 HE2 HIS A 165 -15.896 1.271 3.052 1.00 5.17 H new ATOM 2323 N LEU A 166 -9.556 -1.971 3.938 1.00 0.40 N ATOM 2324 CA LEU A 166 -8.346 -2.795 4.222 1.00 0.28 C ATOM 2325 C LEU A 166 -7.159 -2.268 3.424 1.00 0.26 C ATOM 2326 O LEU A 166 -6.057 -2.183 3.931 1.00 0.29 O ATOM 2327 CB LEU A 166 -8.603 -4.248 3.829 1.00 0.11 C ATOM 2328 CG LEU A 166 -8.947 -5.070 5.075 1.00 1.11 C ATOM 2329 CD1 LEU A 166 -7.782 -5.013 6.065 1.00 0.92 C ATOM 2330 CD2 LEU A 166 -10.206 -4.503 5.739 1.00 2.14 C ATOM 0 H LEU A 166 -10.355 -2.485 3.567 1.00 0.40 H new ATOM 0 HA LEU A 166 -8.125 -2.737 5.288 1.00 0.28 H new ATOM 0 HB2 LEU A 166 -9.421 -4.301 3.110 1.00 0.11 H new ATOM 0 HB3 LEU A 166 -7.722 -4.663 3.340 1.00 0.11 H new ATOM 0 HG LEU A 166 -9.127 -6.104 4.782 1.00 1.11 H new ATOM 0 HD11 LEU A 166 -8.028 -5.598 6.951 1.00 0.92 H new ATOM 0 HD12 LEU A 166 -6.887 -5.422 5.597 1.00 0.92 H new ATOM 0 HD13 LEU A 166 -7.600 -3.978 6.353 1.00 0.92 H new ATOM 0 HD21 LEU A 166 -10.447 -5.091 6.625 1.00 2.14 H new ATOM 0 HD22 LEU A 166 -10.030 -3.467 6.028 1.00 2.14 H new ATOM 0 HD23 LEU A 166 -11.039 -4.547 5.037 1.00 2.14 H new ATOM 2342 N ILE A 167 -7.355 -1.921 2.179 1.00 0.23 N ATOM 2343 CA ILE A 167 -6.206 -1.411 1.390 1.00 0.22 C ATOM 2344 C ILE A 167 -5.689 -0.133 2.052 1.00 0.27 C ATOM 2345 O ILE A 167 -4.509 0.019 2.293 1.00 0.22 O ATOM 2346 CB ILE A 167 -6.630 -1.124 -0.054 1.00 0.23 C ATOM 2347 CG1 ILE A 167 -6.946 -2.450 -0.752 1.00 0.20 C ATOM 2348 CG2 ILE A 167 -5.490 -0.410 -0.802 1.00 0.29 C ATOM 2349 CD1 ILE A 167 -7.510 -2.174 -2.146 1.00 0.20 C ATOM 0 H ILE A 167 -8.246 -1.969 1.685 1.00 0.23 H new ATOM 0 HA ILE A 167 -5.417 -2.163 1.366 1.00 0.22 H new ATOM 0 HB ILE A 167 -7.512 -0.483 -0.055 1.00 0.23 H new ATOM 0 HG12 ILE A 167 -6.044 -3.057 -0.827 1.00 0.20 H new ATOM 0 HG13 ILE A 167 -7.665 -3.020 -0.164 1.00 0.20 H new ATOM 0 HG21 ILE A 167 -5.798 -0.209 -1.828 1.00 0.29 H new ATOM 0 HG22 ILE A 167 -5.259 0.530 -0.301 1.00 0.29 H new ATOM 0 HG23 ILE A 167 -4.604 -1.045 -0.807 1.00 0.29 H new ATOM 0 HD11 ILE A 167 -7.734 -3.119 -2.641 1.00 0.20 H new ATOM 0 HD12 ILE A 167 -8.423 -1.584 -2.059 1.00 0.20 H new ATOM 0 HD13 ILE A 167 -6.776 -1.622 -2.733 1.00 0.20 H new ATOM 2361 N LEU A 168 -6.567 0.783 2.359 1.00 0.37 N ATOM 2362 CA LEU A 168 -6.122 2.043 3.019 1.00 0.43 C ATOM 2363 C LEU A 168 -5.661 1.736 4.449 1.00 0.45 C ATOM 2364 O LEU A 168 -5.065 2.565 5.109 1.00 0.52 O ATOM 2365 CB LEU A 168 -7.280 3.044 3.068 1.00 0.48 C ATOM 2366 CG LEU A 168 -7.908 3.187 1.678 1.00 0.43 C ATOM 2367 CD1 LEU A 168 -9.342 3.697 1.822 1.00 0.68 C ATOM 2368 CD2 LEU A 168 -7.095 4.186 0.851 1.00 0.49 C ATOM 0 H LEU A 168 -7.569 0.714 2.182 1.00 0.37 H new ATOM 0 HA LEU A 168 -5.298 2.471 2.449 1.00 0.43 H new ATOM 0 HB2 LEU A 168 -8.031 2.709 3.783 1.00 0.48 H new ATOM 0 HB3 LEU A 168 -6.920 4.013 3.415 1.00 0.48 H new ATOM 0 HG LEU A 168 -7.911 2.219 1.178 1.00 0.43 H new ATOM 0 HD11 LEU A 168 -9.792 3.800 0.835 1.00 0.68 H new ATOM 0 HD12 LEU A 168 -9.922 2.989 2.413 1.00 0.68 H new ATOM 0 HD13 LEU A 168 -9.335 4.666 2.321 1.00 0.68 H new ATOM 0 HD21 LEU A 168 -7.541 4.288 -0.138 1.00 0.49 H new ATOM 0 HD22 LEU A 168 -7.093 5.155 1.350 1.00 0.49 H new ATOM 0 HD23 LEU A 168 -6.071 3.827 0.751 1.00 0.49 H new ATOM 2380 N ARG A 169 -5.930 0.550 4.935 1.00 0.43 N ATOM 2381 CA ARG A 169 -5.510 0.191 6.318 1.00 0.47 C ATOM 2382 C ARG A 169 -4.029 -0.186 6.315 1.00 0.42 C ATOM 2383 O ARG A 169 -3.283 0.180 7.203 1.00 0.37 O ATOM 2384 CB ARG A 169 -6.338 -0.999 6.810 1.00 0.51 C ATOM 2385 CG ARG A 169 -6.934 -0.674 8.180 1.00 0.39 C ATOM 2386 CD ARG A 169 -7.528 -1.943 8.795 1.00 1.11 C ATOM 2387 NE ARG A 169 -6.817 -2.257 10.067 1.00 1.03 N ATOM 2388 CZ ARG A 169 -7.439 -2.891 11.024 1.00 1.54 C ATOM 2389 NH1 ARG A 169 -8.047 -4.019 10.774 1.00 2.58 N ATOM 2390 NH2 ARG A 169 -7.455 -2.396 12.232 1.00 1.35 N ATOM 0 H ARG A 169 -6.424 -0.185 4.429 1.00 0.43 H new ATOM 0 HA ARG A 169 -5.669 1.042 6.980 1.00 0.47 H new ATOM 0 HB2 ARG A 169 -7.134 -1.221 6.099 1.00 0.51 H new ATOM 0 HB3 ARG A 169 -5.712 -1.889 6.876 1.00 0.51 H new ATOM 0 HG2 ARG A 169 -6.164 -0.266 8.835 1.00 0.39 H new ATOM 0 HG3 ARG A 169 -7.705 0.090 8.080 1.00 0.39 H new ATOM 0 HD2 ARG A 169 -8.592 -1.804 8.985 1.00 1.11 H new ATOM 0 HD3 ARG A 169 -7.435 -2.776 8.098 1.00 1.11 H new ATOM 0 HE ARG A 169 -5.844 -1.976 10.190 1.00 1.03 H new ATOM 0 HH11 ARG A 169 -8.036 -4.406 9.830 1.00 2.58 H new ATOM 0 HH12 ARG A 169 -8.533 -4.513 11.522 1.00 2.58 H new ATOM 0 HH21 ARG A 169 -6.982 -1.514 12.428 1.00 1.35 H new ATOM 0 HH22 ARG A 169 -7.941 -2.891 12.980 1.00 1.35 H new ATOM 2404 N SER A 170 -3.588 -0.904 5.317 1.00 0.45 N ATOM 2405 CA SER A 170 -2.158 -1.283 5.258 1.00 0.41 C ATOM 2406 C SER A 170 -1.365 -0.067 4.804 1.00 0.32 C ATOM 2407 O SER A 170 -0.376 0.295 5.388 1.00 0.27 O ATOM 2408 CB SER A 170 -1.966 -2.424 4.259 1.00 0.46 C ATOM 2409 OG SER A 170 -1.445 -3.560 4.937 1.00 0.77 O ATOM 0 H SER A 170 -4.160 -1.242 4.543 1.00 0.45 H new ATOM 0 HA SER A 170 -1.815 -1.615 6.238 1.00 0.41 H new ATOM 0 HB2 SER A 170 -2.916 -2.673 3.786 1.00 0.46 H new ATOM 0 HB3 SER A 170 -1.286 -2.117 3.465 1.00 0.46 H new ATOM 0 HG SER A 170 -1.322 -4.294 4.299 1.00 0.77 H new ATOM 2415 N PHE A 171 -1.804 0.586 3.769 1.00 0.32 N ATOM 2416 CA PHE A 171 -1.070 1.790 3.297 1.00 0.26 C ATOM 2417 C PHE A 171 -0.842 2.738 4.474 1.00 0.21 C ATOM 2418 O PHE A 171 0.210 3.320 4.614 1.00 0.04 O ATOM 2419 CB PHE A 171 -1.885 2.490 2.210 1.00 0.30 C ATOM 2420 CG PHE A 171 -1.581 1.853 0.878 1.00 0.32 C ATOM 2421 CD1 PHE A 171 -0.252 1.641 0.492 1.00 1.43 C ATOM 2422 CD2 PHE A 171 -2.625 1.473 0.031 1.00 1.86 C ATOM 2423 CE1 PHE A 171 0.032 1.053 -0.741 1.00 1.40 C ATOM 2424 CE2 PHE A 171 -2.341 0.882 -1.206 1.00 1.90 C ATOM 2425 CZ PHE A 171 -1.011 0.672 -1.591 1.00 0.35 C ATOM 0 H PHE A 171 -2.635 0.341 3.231 1.00 0.32 H new ATOM 0 HA PHE A 171 -0.106 1.495 2.884 1.00 0.26 H new ATOM 0 HB2 PHE A 171 -2.950 2.412 2.430 1.00 0.30 H new ATOM 0 HB3 PHE A 171 -1.642 3.552 2.183 1.00 0.30 H new ATOM 0 HD1 PHE A 171 0.554 1.933 1.149 1.00 1.43 H new ATOM 0 HD2 PHE A 171 -3.650 1.635 0.330 1.00 1.86 H new ATOM 0 HE1 PHE A 171 1.058 0.892 -1.039 1.00 1.40 H new ATOM 0 HE2 PHE A 171 -3.147 0.588 -1.863 1.00 1.90 H new ATOM 0 HZ PHE A 171 -0.791 0.216 -2.545 1.00 0.35 H new ATOM 2435 N LYS A 172 -1.813 2.877 5.334 1.00 0.35 N ATOM 2436 CA LYS A 172 -1.639 3.772 6.510 1.00 0.31 C ATOM 2437 C LYS A 172 -0.538 3.217 7.419 1.00 0.28 C ATOM 2438 O LYS A 172 0.516 3.807 7.565 1.00 0.22 O ATOM 2439 CB LYS A 172 -2.955 3.846 7.290 1.00 0.35 C ATOM 2440 CG LYS A 172 -3.274 5.306 7.612 1.00 0.47 C ATOM 2441 CD LYS A 172 -3.715 6.027 6.336 1.00 0.50 C ATOM 2442 CE LYS A 172 -3.834 7.527 6.613 1.00 0.95 C ATOM 2443 NZ LYS A 172 -4.896 7.769 7.634 1.00 0.64 N ATOM 0 H LYS A 172 -2.718 2.410 5.273 1.00 0.35 H new ATOM 0 HA LYS A 172 -1.359 4.769 6.170 1.00 0.31 H new ATOM 0 HB2 LYS A 172 -3.763 3.407 6.704 1.00 0.35 H new ATOM 0 HB3 LYS A 172 -2.878 3.268 8.211 1.00 0.35 H new ATOM 0 HG2 LYS A 172 -4.062 5.360 8.363 1.00 0.47 H new ATOM 0 HG3 LYS A 172 -2.397 5.796 8.034 1.00 0.47 H new ATOM 0 HD2 LYS A 172 -2.994 5.850 5.538 1.00 0.50 H new ATOM 0 HD3 LYS A 172 -4.672 5.632 5.995 1.00 0.50 H new ATOM 0 HE2 LYS A 172 -2.880 7.918 6.967 1.00 0.95 H new ATOM 0 HE3 LYS A 172 -4.074 8.058 5.692 1.00 0.95 H new ATOM 0 HZ1 LYS A 172 -5.116 8.785 7.672 1.00 0.64 H new ATOM 0 HZ2 LYS A 172 -5.753 7.239 7.376 1.00 0.64 H new ATOM 0 HZ3 LYS A 172 -4.560 7.453 8.566 1.00 0.64 H new ATOM 2457 N GLU A 173 -0.770 2.088 8.033 1.00 0.32 N ATOM 2458 CA GLU A 173 0.267 1.502 8.934 1.00 0.32 C ATOM 2459 C GLU A 173 1.471 1.047 8.106 1.00 0.29 C ATOM 2460 O GLU A 173 2.553 1.569 8.243 1.00 0.28 O ATOM 2461 CB GLU A 173 -0.324 0.302 9.678 1.00 0.39 C ATOM 2462 CG GLU A 173 -1.449 0.774 10.600 1.00 0.86 C ATOM 2463 CD GLU A 173 -0.932 0.861 12.037 1.00 0.97 C ATOM 2464 OE1 GLU A 173 -0.511 -0.160 12.557 1.00 1.32 O ATOM 2465 OE2 GLU A 173 -0.965 1.946 12.594 1.00 1.83 O ATOM 0 H GLU A 173 -1.630 1.546 7.951 1.00 0.32 H new ATOM 0 HA GLU A 173 0.588 2.255 9.654 1.00 0.32 H new ATOM 0 HB2 GLU A 173 -0.707 -0.428 8.965 1.00 0.39 H new ATOM 0 HB3 GLU A 173 0.452 -0.196 10.260 1.00 0.39 H new ATOM 0 HG2 GLU A 173 -1.815 1.748 10.275 1.00 0.86 H new ATOM 0 HG3 GLU A 173 -2.291 0.083 10.547 1.00 0.86 H new ATOM 2472 N PHE A 174 1.279 0.067 7.260 1.00 0.27 N ATOM 2473 CA PHE A 174 2.390 -0.468 6.401 1.00 0.26 C ATOM 2474 C PHE A 174 3.331 0.654 5.920 1.00 0.21 C ATOM 2475 O PHE A 174 4.510 0.645 6.219 1.00 0.22 O ATOM 2476 CB PHE A 174 1.781 -1.172 5.184 1.00 0.27 C ATOM 2477 CG PHE A 174 2.730 -2.219 4.666 1.00 0.29 C ATOM 2478 CD1 PHE A 174 3.972 -1.837 4.151 1.00 0.90 C ATOM 2479 CD2 PHE A 174 2.367 -3.569 4.699 1.00 0.66 C ATOM 2480 CE1 PHE A 174 4.856 -2.808 3.665 1.00 0.95 C ATOM 2481 CE2 PHE A 174 3.251 -4.542 4.215 1.00 0.62 C ATOM 2482 CZ PHE A 174 4.495 -4.162 3.699 1.00 0.36 C ATOM 0 H PHE A 174 0.381 -0.397 7.123 1.00 0.27 H new ATOM 0 HA PHE A 174 2.978 -1.165 6.998 1.00 0.26 H new ATOM 0 HB2 PHE A 174 0.832 -1.633 5.458 1.00 0.27 H new ATOM 0 HB3 PHE A 174 1.568 -0.444 4.401 1.00 0.27 H new ATOM 0 HD1 PHE A 174 4.250 -0.794 4.128 1.00 0.90 H new ATOM 0 HD2 PHE A 174 1.406 -3.861 5.097 1.00 0.66 H new ATOM 0 HE1 PHE A 174 5.815 -2.514 3.264 1.00 0.95 H new ATOM 0 HE2 PHE A 174 2.972 -5.585 4.240 1.00 0.62 H new ATOM 0 HZ PHE A 174 5.177 -4.912 3.327 1.00 0.36 H new ATOM 2492 N LEU A 175 2.838 1.617 5.178 1.00 0.17 N ATOM 2493 CA LEU A 175 3.742 2.710 4.702 1.00 0.16 C ATOM 2494 C LEU A 175 4.400 3.379 5.910 1.00 0.16 C ATOM 2495 O LEU A 175 5.569 3.710 5.890 1.00 0.14 O ATOM 2496 CB LEU A 175 2.941 3.756 3.925 1.00 0.24 C ATOM 2497 CG LEU A 175 2.353 3.131 2.657 1.00 0.36 C ATOM 2498 CD1 LEU A 175 1.252 4.033 2.102 1.00 0.40 C ATOM 2499 CD2 LEU A 175 3.447 2.986 1.598 1.00 0.35 C ATOM 0 H LEU A 175 1.864 1.693 4.885 1.00 0.17 H new ATOM 0 HA LEU A 175 4.503 2.284 4.048 1.00 0.16 H new ATOM 0 HB2 LEU A 175 2.140 4.151 4.550 1.00 0.24 H new ATOM 0 HB3 LEU A 175 3.584 4.596 3.662 1.00 0.24 H new ATOM 0 HG LEU A 175 1.943 2.152 2.904 1.00 0.36 H new ATOM 0 HD11 LEU A 175 0.835 3.586 1.200 1.00 0.40 H new ATOM 0 HD12 LEU A 175 0.465 4.147 2.847 1.00 0.40 H new ATOM 0 HD13 LEU A 175 1.669 5.011 1.863 1.00 0.40 H new ATOM 0 HD21 LEU A 175 3.025 2.541 0.697 1.00 0.35 H new ATOM 0 HD22 LEU A 175 3.856 3.968 1.360 1.00 0.35 H new ATOM 0 HD23 LEU A 175 4.242 2.346 1.981 1.00 0.35 H new ATOM 2511 N GLN A 176 3.655 3.587 6.966 1.00 0.21 N ATOM 2512 CA GLN A 176 4.234 4.238 8.177 1.00 0.23 C ATOM 2513 C GLN A 176 5.527 3.521 8.584 1.00 0.23 C ATOM 2514 O GLN A 176 6.571 4.132 8.711 1.00 0.29 O ATOM 2515 CB GLN A 176 3.225 4.168 9.326 1.00 0.34 C ATOM 2516 CG GLN A 176 2.785 5.583 9.703 1.00 0.60 C ATOM 2517 CD GLN A 176 2.169 5.573 11.102 1.00 0.69 C ATOM 2518 OE1 GLN A 176 1.586 4.590 11.516 1.00 1.54 O ATOM 2519 NE2 GLN A 176 2.273 6.633 11.854 1.00 0.82 N ATOM 0 H GLN A 176 2.670 3.333 7.041 1.00 0.21 H new ATOM 0 HA GLN A 176 4.458 5.281 7.953 1.00 0.23 H new ATOM 0 HB2 GLN A 176 2.361 3.573 9.030 1.00 0.34 H new ATOM 0 HB3 GLN A 176 3.672 3.673 10.188 1.00 0.34 H new ATOM 0 HG2 GLN A 176 3.639 6.260 9.676 1.00 0.60 H new ATOM 0 HG3 GLN A 176 2.061 5.955 8.978 1.00 0.60 H new ATOM 0 HE21 GLN A 176 2.762 7.458 11.507 1.00 0.82 H new ATOM 0 HE22 GLN A 176 1.865 6.637 12.789 1.00 0.82 H new ATOM 2528 N SER A 177 5.470 2.232 8.787 1.00 0.29 N ATOM 2529 CA SER A 177 6.696 1.485 9.179 1.00 0.30 C ATOM 2530 C SER A 177 7.780 1.722 8.129 1.00 0.26 C ATOM 2531 O SER A 177 8.955 1.748 8.430 1.00 0.29 O ATOM 2532 CB SER A 177 6.383 -0.009 9.264 1.00 0.37 C ATOM 2533 OG SER A 177 6.655 -0.470 10.581 1.00 1.63 O ATOM 0 H SER A 177 4.626 1.666 8.698 1.00 0.29 H new ATOM 0 HA SER A 177 7.043 1.833 10.152 1.00 0.30 H new ATOM 0 HB2 SER A 177 5.338 -0.189 9.012 1.00 0.37 H new ATOM 0 HB3 SER A 177 6.985 -0.560 8.541 1.00 0.37 H new ATOM 0 HG SER A 177 6.591 -1.448 10.605 1.00 1.63 H new ATOM 2539 N SER A 178 7.391 1.899 6.895 1.00 0.24 N ATOM 2540 CA SER A 178 8.398 2.140 5.824 1.00 0.28 C ATOM 2541 C SER A 178 9.173 3.422 6.139 1.00 0.28 C ATOM 2542 O SER A 178 10.381 3.473 6.026 1.00 0.30 O ATOM 2543 CB SER A 178 7.686 2.293 4.479 1.00 0.38 C ATOM 2544 OG SER A 178 8.646 2.248 3.431 1.00 0.96 O ATOM 0 H SER A 178 6.420 1.887 6.583 1.00 0.24 H new ATOM 0 HA SER A 178 9.088 1.298 5.775 1.00 0.28 H new ATOM 0 HB2 SER A 178 6.953 1.497 4.350 1.00 0.38 H new ATOM 0 HB3 SER A 178 7.141 3.237 4.448 1.00 0.38 H new ATOM 0 HG SER A 178 8.192 2.344 2.568 1.00 0.96 H new ATOM 2550 N LEU A 179 8.484 4.456 6.540 1.00 0.28 N ATOM 2551 CA LEU A 179 9.179 5.733 6.871 1.00 0.28 C ATOM 2552 C LEU A 179 10.164 5.484 8.015 1.00 0.23 C ATOM 2553 O LEU A 179 11.347 5.742 7.900 1.00 0.26 O ATOM 2554 CB LEU A 179 8.145 6.776 7.304 1.00 0.38 C ATOM 2555 CG LEU A 179 7.366 7.262 6.081 1.00 0.29 C ATOM 2556 CD1 LEU A 179 6.208 6.306 5.798 1.00 0.49 C ATOM 2557 CD2 LEU A 179 6.814 8.663 6.354 1.00 0.79 C ATOM 0 H LEU A 179 7.470 4.472 6.653 1.00 0.28 H new ATOM 0 HA LEU A 179 9.717 6.099 5.997 1.00 0.28 H new ATOM 0 HB2 LEU A 179 7.462 6.344 8.035 1.00 0.38 H new ATOM 0 HB3 LEU A 179 8.642 7.616 7.789 1.00 0.38 H new ATOM 0 HG LEU A 179 8.030 7.292 5.217 1.00 0.29 H new ATOM 0 HD11 LEU A 179 5.654 6.654 4.926 1.00 0.49 H new ATOM 0 HD12 LEU A 179 6.600 5.307 5.604 1.00 0.49 H new ATOM 0 HD13 LEU A 179 5.543 6.274 6.661 1.00 0.49 H new ATOM 0 HD21 LEU A 179 6.258 9.011 5.483 1.00 0.79 H new ATOM 0 HD22 LEU A 179 6.151 8.631 7.219 1.00 0.79 H new ATOM 0 HD23 LEU A 179 7.639 9.346 6.555 1.00 0.79 H new ATOM 2569 N ARG A 180 9.684 4.969 9.115 1.00 0.29 N ATOM 2570 CA ARG A 180 10.589 4.687 10.266 1.00 0.34 C ATOM 2571 C ARG A 180 11.584 3.583 9.885 1.00 0.29 C ATOM 2572 O ARG A 180 12.543 3.334 10.588 1.00 0.43 O ATOM 2573 CB ARG A 180 9.758 4.226 11.468 1.00 0.42 C ATOM 2574 CG ARG A 180 8.804 5.344 11.894 1.00 0.66 C ATOM 2575 CD ARG A 180 7.474 4.738 12.349 1.00 1.32 C ATOM 2576 NE ARG A 180 7.559 4.373 13.793 1.00 0.96 N ATOM 2577 CZ ARG A 180 6.534 3.825 14.390 1.00 1.79 C ATOM 2578 NH1 ARG A 180 5.398 4.464 14.455 1.00 2.21 N ATOM 2579 NH2 ARG A 180 6.646 2.637 14.920 1.00 2.65 N ATOM 0 H ARG A 180 8.704 4.731 9.266 1.00 0.29 H new ATOM 0 HA ARG A 180 11.136 5.594 10.523 1.00 0.34 H new ATOM 0 HB2 ARG A 180 9.192 3.331 11.210 1.00 0.42 H new ATOM 0 HB3 ARG A 180 10.415 3.960 12.296 1.00 0.42 H new ATOM 0 HG2 ARG A 180 9.246 5.925 12.703 1.00 0.66 H new ATOM 0 HG3 ARG A 180 8.638 6.030 11.063 1.00 0.66 H new ATOM 0 HD2 ARG A 180 6.665 5.451 12.191 1.00 1.32 H new ATOM 0 HD3 ARG A 180 7.242 3.855 11.753 1.00 1.32 H new ATOM 0 HE ARG A 180 8.417 4.551 14.314 1.00 0.96 H new ATOM 0 HH11 ARG A 180 5.310 5.391 14.040 1.00 2.21 H new ATOM 0 HH12 ARG A 180 4.598 4.036 14.921 1.00 2.21 H new ATOM 0 HH21 ARG A 180 7.533 2.137 14.868 1.00 2.65 H new ATOM 0 HH22 ARG A 180 5.846 2.209 15.386 1.00 2.65 H new ATOM 2593 N ALA A 181 11.370 2.923 8.775 1.00 0.40 N ATOM 2594 CA ALA A 181 12.303 1.848 8.352 1.00 0.54 C ATOM 2595 C ALA A 181 13.520 2.489 7.690 1.00 0.39 C ATOM 2596 O ALA A 181 14.641 2.055 7.866 1.00 0.41 O ATOM 2597 CB ALA A 181 11.596 0.942 7.345 1.00 0.87 C ATOM 0 H ALA A 181 10.585 3.087 8.145 1.00 0.40 H new ATOM 0 HA ALA A 181 12.617 1.260 9.214 1.00 0.54 H new ATOM 0 HB1 ALA A 181 12.275 0.150 7.029 1.00 0.87 H new ATOM 0 HB2 ALA A 181 10.714 0.501 7.809 1.00 0.87 H new ATOM 0 HB3 ALA A 181 11.294 1.528 6.477 1.00 0.87 H new ATOM 2603 N LEU A 182 13.302 3.528 6.931 1.00 0.39 N ATOM 2604 CA LEU A 182 14.439 4.207 6.257 1.00 0.41 C ATOM 2605 C LEU A 182 15.212 5.023 7.292 1.00 0.38 C ATOM 2606 O LEU A 182 16.400 5.242 7.167 1.00 0.43 O ATOM 2607 CB LEU A 182 13.910 5.142 5.164 1.00 0.65 C ATOM 2608 CG LEU A 182 13.593 4.336 3.902 1.00 0.29 C ATOM 2609 CD1 LEU A 182 12.533 5.072 3.082 1.00 1.73 C ATOM 2610 CD2 LEU A 182 14.863 4.182 3.062 1.00 1.28 C ATOM 0 H LEU A 182 12.384 3.934 6.750 1.00 0.39 H new ATOM 0 HA LEU A 182 15.094 3.462 5.804 1.00 0.41 H new ATOM 0 HB2 LEU A 182 13.014 5.655 5.514 1.00 0.65 H new ATOM 0 HB3 LEU A 182 14.650 5.910 4.940 1.00 0.65 H new ATOM 0 HG LEU A 182 13.220 3.352 4.185 1.00 0.29 H new ATOM 0 HD11 LEU A 182 12.306 4.499 2.183 1.00 1.73 H new ATOM 0 HD12 LEU A 182 11.627 5.187 3.677 1.00 1.73 H new ATOM 0 HD13 LEU A 182 12.909 6.056 2.800 1.00 1.73 H new ATOM 0 HD21 LEU A 182 14.637 3.608 2.163 1.00 1.28 H new ATOM 0 HD22 LEU A 182 15.234 5.167 2.780 1.00 1.28 H new ATOM 0 HD23 LEU A 182 15.623 3.661 3.644 1.00 1.28 H new ATOM 2622 N ARG A 183 14.540 5.474 8.314 1.00 0.38 N ATOM 2623 CA ARG A 183 15.223 6.281 9.365 1.00 0.54 C ATOM 2624 C ARG A 183 15.810 5.350 10.432 1.00 0.58 C ATOM 2625 O ARG A 183 16.675 5.736 11.195 1.00 0.84 O ATOM 2626 CB ARG A 183 14.210 7.225 10.013 1.00 0.49 C ATOM 2627 CG ARG A 183 14.924 8.488 10.496 1.00 1.01 C ATOM 2628 CD ARG A 183 13.931 9.371 11.252 1.00 1.04 C ATOM 2629 NE ARG A 183 12.977 9.984 10.285 1.00 0.80 N ATOM 2630 CZ ARG A 183 11.709 10.068 10.582 1.00 2.16 C ATOM 2631 NH1 ARG A 183 11.103 9.059 11.147 1.00 3.36 N ATOM 2632 NH2 ARG A 183 11.047 11.158 10.311 1.00 2.68 N ATOM 0 H ARG A 183 13.544 5.318 8.468 1.00 0.38 H new ATOM 0 HA ARG A 183 16.028 6.860 8.912 1.00 0.54 H new ATOM 0 HB2 ARG A 183 13.431 7.486 9.297 1.00 0.49 H new ATOM 0 HB3 ARG A 183 13.719 6.729 10.851 1.00 0.49 H new ATOM 0 HG2 ARG A 183 15.759 8.222 11.144 1.00 1.01 H new ATOM 0 HG3 ARG A 183 15.340 9.032 9.648 1.00 1.01 H new ATOM 0 HD2 ARG A 183 13.389 8.779 11.989 1.00 1.04 H new ATOM 0 HD3 ARG A 183 14.463 10.150 11.798 1.00 1.04 H new ATOM 0 HE ARG A 183 13.315 10.338 9.390 1.00 0.80 H new ATOM 0 HH11 ARG A 183 11.621 8.205 11.356 1.00 3.36 H new ATOM 0 HH12 ARG A 183 10.112 9.124 11.379 1.00 3.36 H new ATOM 0 HH21 ARG A 183 11.520 11.945 9.867 1.00 2.68 H new ATOM 0 HH22 ARG A 183 10.056 11.224 10.543 1.00 2.68 H new ATOM 2646 N GLN A 184 15.354 4.129 10.493 1.00 0.51 N ATOM 2647 CA GLN A 184 15.893 3.181 11.508 1.00 0.70 C ATOM 2648 C GLN A 184 17.179 2.555 10.973 1.00 0.67 C ATOM 2649 O GLN A 184 18.087 2.244 11.717 1.00 0.70 O ATOM 2650 CB GLN A 184 14.864 2.080 11.777 1.00 0.82 C ATOM 2651 CG GLN A 184 14.026 2.452 13.002 1.00 0.83 C ATOM 2652 CD GLN A 184 14.695 1.900 14.263 1.00 1.32 C ATOM 2653 OE1 GLN A 184 14.448 0.776 14.654 1.00 2.65 O ATOM 2654 NE2 GLN A 184 15.540 2.648 14.919 1.00 0.76 N ATOM 0 H GLN A 184 14.631 3.747 9.883 1.00 0.51 H new ATOM 0 HA GLN A 184 16.101 3.715 12.435 1.00 0.70 H new ATOM 0 HB2 GLN A 184 14.219 1.950 10.908 1.00 0.82 H new ATOM 0 HB3 GLN A 184 15.369 1.129 11.944 1.00 0.82 H new ATOM 0 HG2 GLN A 184 13.928 3.535 13.074 1.00 0.83 H new ATOM 0 HG3 GLN A 184 13.019 2.046 12.904 1.00 0.83 H new ATOM 0 HE21 GLN A 184 15.747 3.591 14.591 1.00 0.76 H new ATOM 0 HE22 GLN A 184 15.993 2.289 15.760 1.00 0.76 H new ATOM 2663 N MET A 185 17.264 2.373 9.684 1.00 0.65 N ATOM 2664 CA MET A 185 18.493 1.771 9.099 1.00 0.67 C ATOM 2665 C MET A 185 19.028 2.680 7.993 1.00 0.91 C ATOM 2666 O MET A 185 20.236 2.739 7.832 1.00 1.35 O ATOM 2667 CB MET A 185 18.166 0.395 8.517 1.00 1.76 C ATOM 2668 CG MET A 185 16.894 0.489 7.672 1.00 0.60 C ATOM 2669 SD MET A 185 16.910 -0.802 6.403 1.00 1.48 S ATOM 2670 CE MET A 185 15.211 -0.568 5.827 1.00 0.52 C ATOM 2671 OXT MET A 185 18.221 3.305 7.324 1.00 2.07 O ATOM 0 H MET A 185 16.536 2.615 9.012 1.00 0.65 H new ATOM 0 HA MET A 185 19.248 1.662 9.878 1.00 0.67 H new ATOM 0 HB2 MET A 185 18.996 0.040 7.906 1.00 1.76 H new ATOM 0 HB3 MET A 185 18.029 -0.329 9.321 1.00 1.76 H new ATOM 0 HG2 MET A 185 16.015 0.378 8.307 1.00 0.60 H new ATOM 0 HG3 MET A 185 16.828 1.471 7.205 1.00 0.60 H new ATOM 0 HE1 MET A 185 14.853 -1.489 5.367 1.00 0.52 H new ATOM 0 HE2 MET A 185 14.572 -0.312 6.672 1.00 0.52 H new ATOM 0 HE3 MET A 185 15.183 0.239 5.094 1.00 0.52 H new