USER MOD reduce.3.24.130724 H: found=0, std=0, add=1274, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1277 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 38 THR OG1 : rot 150:sc= 0.297 USER MOD Set 1.2: A 83 LYS NZ :NH3+ 175:sc= 0.472 (180deg=-0.429) USER MOD Set 1.3: A 120 GLN : amide:sc= 0.321 K(o=1.1,f=-4.7!) USER MOD Set 2.1: A 15 SER OG : rot -39:sc= 0.894 USER MOD Set 2.2: A 58 ASN :FLIP amide:sc= -0.31 F(o=-0.036,f=1.1) USER MOD Set 2.3: A 61 SER OG : rot 80:sc= 0.534 USER MOD Set 3.1: A 8 TYR OH : rot 23:sc= 1.6 USER MOD Set 3.2: A 27 LYS NZ :NH3+ -150:sc= 1.69 (180deg=0.0339) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.5!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 74:sc= 1.17 USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= 1.88 (180deg=0.837) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 0.058 (180deg=0.0354) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.352 F(o=-2.2!,f=-0.35) USER MOD Single : A 33 MET CE :methyl 174:sc= -6.22! (180deg=-6.38!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0565 (180deg=-0.321) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= -0.113 (180deg=-0.479) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 50 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.3) USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= 1.29 (180deg=1.12) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 60 GLN :FLIP amide:sc=-0.00999 F(o=-1.2,f=-0.01) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0743) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 0.0293 (180deg=-0.122) USER MOD Single : A 67 TYR OH : rot 150:sc= -0.0648 USER MOD Single : A 68 SER OG : rot 180:sc= 0.01 USER MOD Single : A 71 CYS SG : rot 55:sc= -7.33! USER MOD Single : A 72 GLN : amide:sc= -1.77! C(o=-1.8!,f=-7!) USER MOD Single : A 75 LYS NZ :NH3+ 161:sc= 1.18 (180deg=0.812) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0508) USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= 0.973 (180deg=0.834) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0756 USER MOD Single : A 88 GLN :FLIP amide:sc= -1.42 F(o=-2.3,f=-1.4) USER MOD Single : A 89 HIS : no HD1:sc=-0.00365 X(o=-0.0036,f=-0.0036) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 34:sc= -1.52! USER MOD Single : A 104 LYS NZ :NH3+ 144:sc= -0.179 (180deg=-1.74) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 144:sc= 1.98 (180deg=1.08) USER MOD Single : A 109 MET CE :methyl -159:sc= -0.217 (180deg=-0.829) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl -164:sc= -4.75! (180deg=-6.01!) USER MOD Single : A 126 SER OG : rot 94:sc= 0.597 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 170:sc= -0.541 USER MOD Single : A 133 SER OG : rot 180:sc= 0.0524 USER MOD Single : A 134 SER OG : rot -156:sc= 1.29 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 MET CE :methyl 146:sc= -2.87 (180deg=-10.5!) USER MOD Single : A 142 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.05) USER MOD Single : A 144 MET CE :methyl 170:sc= -0.101 (180deg=-0.381) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc=-0.00968 X(o=-0.0097,f=0) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 SER OG : rot 62:sc= -2! USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -10.114 -6.423 -11.532 1.00 1.75 N ATOM 2 CA GLU A 3 -9.985 -5.514 -10.371 1.00 1.53 C ATOM 3 C GLU A 3 -11.296 -5.412 -9.596 1.00 1.23 C ATOM 4 O GLU A 3 -11.449 -4.541 -8.733 1.00 1.66 O ATOM 5 CB GLU A 3 -9.553 -4.123 -10.832 1.00 2.07 C ATOM 6 CG GLU A 3 -8.148 -4.078 -11.405 1.00 2.60 C ATOM 7 CD GLU A 3 -7.811 -2.725 -11.990 1.00 3.08 C ATOM 8 OE1 GLU A 3 -7.325 -1.857 -11.239 1.00 3.68 O ATOM 9 OE2 GLU A 3 -8.023 -2.521 -13.202 1.00 3.25 O ATOM 0 HA GLU A 3 -9.226 -5.930 -9.709 1.00 1.53 H new ATOM 0 HB2 GLU A 3 -10.255 -3.766 -11.586 1.00 2.07 H new ATOM 0 HB3 GLU A 3 -9.614 -3.435 -9.988 1.00 2.07 H new ATOM 0 HG2 GLU A 3 -7.430 -4.322 -10.622 1.00 2.60 H new ATOM 0 HG3 GLU A 3 -8.048 -4.841 -12.177 1.00 2.60 H new ATOM 18 N GLU A 4 -12.240 -6.301 -9.898 1.00 0.80 N ATOM 19 CA GLU A 4 -13.531 -6.285 -9.228 1.00 0.70 C ATOM 20 C GLU A 4 -13.382 -6.655 -7.758 1.00 0.61 C ATOM 21 O GLU A 4 -13.641 -5.837 -6.877 1.00 0.76 O ATOM 22 CB GLU A 4 -14.518 -7.228 -9.917 1.00 0.85 C ATOM 23 CG GLU A 4 -14.906 -6.784 -11.316 1.00 0.98 C ATOM 24 CD GLU A 4 -15.953 -7.681 -11.940 1.00 1.55 C ATOM 25 OE1 GLU A 4 -17.152 -7.500 -11.644 1.00 1.65 O ATOM 26 OE2 GLU A 4 -15.583 -8.572 -12.732 1.00 2.38 O ATOM 0 H GLU A 4 -12.133 -7.035 -10.598 1.00 0.80 H new ATOM 0 HA GLU A 4 -13.927 -5.271 -9.291 1.00 0.70 H new ATOM 0 HB2 GLU A 4 -14.079 -8.225 -9.969 1.00 0.85 H new ATOM 0 HB3 GLU A 4 -15.418 -7.307 -9.307 1.00 0.85 H new ATOM 0 HG2 GLU A 4 -15.284 -5.762 -11.278 1.00 0.98 H new ATOM 0 HG3 GLU A 4 -14.019 -6.772 -11.949 1.00 0.98 H new ATOM 33 N LYS A 5 -12.944 -7.872 -7.483 1.00 0.53 N ATOM 34 CA LYS A 5 -12.766 -8.295 -6.104 1.00 0.46 C ATOM 35 C LYS A 5 -11.370 -7.946 -5.617 1.00 0.34 C ATOM 36 O LYS A 5 -10.369 -8.468 -6.109 1.00 0.39 O ATOM 37 CB LYS A 5 -13.023 -9.788 -5.937 1.00 0.54 C ATOM 38 CG LYS A 5 -12.979 -10.241 -4.486 1.00 0.60 C ATOM 39 CD LYS A 5 -13.464 -11.672 -4.317 1.00 0.89 C ATOM 40 CE LYS A 5 -14.945 -11.800 -4.640 1.00 1.36 C ATOM 41 NZ LYS A 5 -15.463 -13.158 -4.340 1.00 1.61 N ATOM 0 H LYS A 5 -12.708 -8.575 -8.184 1.00 0.53 H new ATOM 0 HA LYS A 5 -13.498 -7.760 -5.499 1.00 0.46 H new ATOM 0 HB2 LYS A 5 -13.998 -10.032 -6.359 1.00 0.54 H new ATOM 0 HB3 LYS A 5 -12.280 -10.345 -6.508 1.00 0.54 H new ATOM 0 HG2 LYS A 5 -11.959 -10.158 -4.112 1.00 0.60 H new ATOM 0 HG3 LYS A 5 -13.595 -9.576 -3.881 1.00 0.60 H new ATOM 0 HD2 LYS A 5 -12.890 -12.331 -4.968 1.00 0.89 H new ATOM 0 HD3 LYS A 5 -13.284 -12.000 -3.293 1.00 0.89 H new ATOM 0 HE2 LYS A 5 -15.506 -11.063 -4.066 1.00 1.36 H new ATOM 0 HE3 LYS A 5 -15.107 -11.575 -5.694 1.00 1.36 H new ATOM 0 HZ1 LYS A 5 -16.475 -13.203 -4.574 1.00 1.61 H new ATOM 0 HZ2 LYS A 5 -14.945 -13.860 -4.906 1.00 1.61 H new ATOM 0 HZ3 LYS A 5 -15.332 -13.364 -3.329 1.00 1.61 H new ATOM 55 N GLY A 6 -11.323 -7.065 -4.642 1.00 0.26 N ATOM 56 CA GLY A 6 -10.061 -6.606 -4.102 1.00 0.20 C ATOM 57 C GLY A 6 -10.211 -5.287 -3.381 1.00 0.17 C ATOM 58 O GLY A 6 -11.332 -4.862 -3.099 1.00 0.24 O ATOM 0 H GLY A 6 -12.147 -6.651 -4.205 1.00 0.26 H new ATOM 0 HA2 GLY A 6 -9.665 -7.354 -3.415 1.00 0.20 H new ATOM 0 HA3 GLY A 6 -9.336 -6.500 -4.909 1.00 0.20 H new ATOM 62 N ALA A 7 -9.099 -4.627 -3.103 1.00 0.15 N ATOM 63 CA ALA A 7 -9.125 -3.365 -2.374 1.00 0.14 C ATOM 64 C ALA A 7 -8.530 -2.240 -3.201 1.00 0.14 C ATOM 65 O ALA A 7 -7.723 -2.477 -4.090 1.00 0.18 O ATOM 66 CB ALA A 7 -8.382 -3.491 -1.054 1.00 0.16 C ATOM 0 H ALA A 7 -8.166 -4.942 -3.370 1.00 0.15 H new ATOM 0 HA ALA A 7 -10.168 -3.124 -2.169 1.00 0.14 H new ATOM 0 HB1 ALA A 7 -8.414 -2.538 -0.526 1.00 0.16 H new ATOM 0 HB2 ALA A 7 -8.854 -4.260 -0.443 1.00 0.16 H new ATOM 0 HB3 ALA A 7 -7.345 -3.765 -1.245 1.00 0.16 H new ATOM 72 N TYR A 8 -8.943 -1.022 -2.910 1.00 0.12 N ATOM 73 CA TYR A 8 -8.428 0.154 -3.597 1.00 0.13 C ATOM 74 C TYR A 8 -7.972 1.197 -2.588 1.00 0.12 C ATOM 75 O TYR A 8 -8.675 1.475 -1.616 1.00 0.13 O ATOM 76 CB TYR A 8 -9.499 0.751 -4.515 1.00 0.16 C ATOM 77 CG TYR A 8 -9.478 0.226 -5.939 1.00 0.24 C ATOM 78 CD1 TYR A 8 -8.390 0.451 -6.774 1.00 0.31 C ATOM 79 CD2 TYR A 8 -10.560 -0.457 -6.457 1.00 0.39 C ATOM 80 CE1 TYR A 8 -8.392 0.009 -8.082 1.00 0.40 C ATOM 81 CE2 TYR A 8 -10.567 -0.911 -7.760 1.00 0.48 C ATOM 82 CZ TYR A 8 -9.482 -0.672 -8.568 1.00 0.45 C ATOM 83 OH TYR A 8 -9.497 -1.104 -9.874 1.00 0.57 O ATOM 0 H TYR A 8 -9.641 -0.816 -2.195 1.00 0.12 H new ATOM 0 HA TYR A 8 -7.575 -0.149 -4.204 1.00 0.13 H new ATOM 0 HB2 TYR A 8 -10.480 0.552 -4.083 1.00 0.16 H new ATOM 0 HB3 TYR A 8 -9.375 1.834 -4.539 1.00 0.16 H new ATOM 0 HD1 TYR A 8 -7.529 0.980 -6.393 1.00 0.31 H new ATOM 0 HD2 TYR A 8 -11.419 -0.640 -5.829 1.00 0.39 H new ATOM 0 HE1 TYR A 8 -7.541 0.198 -8.720 1.00 0.40 H new ATOM 0 HE2 TYR A 8 -11.421 -1.451 -8.142 1.00 0.48 H new ATOM 0 HH TYR A 8 -8.577 -1.185 -10.202 1.00 0.57 H new ATOM 93 N LEU A 9 -6.789 1.750 -2.814 1.00 0.12 N ATOM 94 CA LEU A 9 -6.290 2.853 -2.008 1.00 0.12 C ATOM 95 C LEU A 9 -6.802 4.133 -2.619 1.00 0.11 C ATOM 96 O LEU A 9 -6.429 4.486 -3.731 1.00 0.13 O ATOM 97 CB LEU A 9 -4.756 2.856 -1.971 1.00 0.12 C ATOM 98 CG LEU A 9 -4.085 3.811 -0.963 1.00 0.13 C ATOM 99 CD1 LEU A 9 -4.227 5.265 -1.373 1.00 0.16 C ATOM 100 CD2 LEU A 9 -4.632 3.595 0.440 1.00 0.12 C ATOM 0 H LEU A 9 -6.154 1.450 -3.554 1.00 0.12 H new ATOM 0 HA LEU A 9 -6.638 2.751 -0.980 1.00 0.12 H new ATOM 0 HB2 LEU A 9 -4.420 1.842 -1.754 1.00 0.12 H new ATOM 0 HB3 LEU A 9 -4.393 3.105 -2.968 1.00 0.12 H new ATOM 0 HG LEU A 9 -3.021 3.575 -0.961 1.00 0.13 H new ATOM 0 HD11 LEU A 9 -3.740 5.901 -0.634 1.00 0.16 H new ATOM 0 HD12 LEU A 9 -3.760 5.416 -2.346 1.00 0.16 H new ATOM 0 HD13 LEU A 9 -5.284 5.524 -1.434 1.00 0.16 H new ATOM 0 HD21 LEU A 9 -4.142 4.281 1.131 1.00 0.12 H new ATOM 0 HD22 LEU A 9 -5.706 3.781 0.444 1.00 0.12 H new ATOM 0 HD23 LEU A 9 -4.440 2.568 0.751 1.00 0.12 H new ATOM 112 N VAL A 10 -7.642 4.823 -1.898 1.00 0.12 N ATOM 113 CA VAL A 10 -8.318 5.979 -2.444 1.00 0.14 C ATOM 114 C VAL A 10 -7.824 7.248 -1.782 1.00 0.16 C ATOM 115 O VAL A 10 -7.558 7.269 -0.579 1.00 0.14 O ATOM 116 CB VAL A 10 -9.850 5.887 -2.277 1.00 0.16 C ATOM 117 CG1 VAL A 10 -10.546 6.455 -3.501 1.00 0.19 C ATOM 118 CG2 VAL A 10 -10.298 4.457 -2.005 1.00 0.16 C ATOM 0 H VAL A 10 -7.878 4.609 -0.929 1.00 0.12 H new ATOM 0 HA VAL A 10 -8.089 6.003 -3.509 1.00 0.14 H new ATOM 0 HB VAL A 10 -10.133 6.483 -1.409 1.00 0.16 H new ATOM 0 HG11 VAL A 10 -11.626 6.384 -3.371 1.00 0.19 H new ATOM 0 HG12 VAL A 10 -10.263 7.500 -3.628 1.00 0.19 H new ATOM 0 HG13 VAL A 10 -10.249 5.889 -4.384 1.00 0.19 H new ATOM 0 HG21 VAL A 10 -11.382 4.430 -1.893 1.00 0.16 H new ATOM 0 HG22 VAL A 10 -10.004 3.819 -2.838 1.00 0.16 H new ATOM 0 HG23 VAL A 10 -9.830 4.097 -1.089 1.00 0.16 H new ATOM 128 N PHE A 11 -7.688 8.295 -2.575 1.00 0.23 N ATOM 129 CA PHE A 11 -7.330 9.599 -2.058 1.00 0.27 C ATOM 130 C PHE A 11 -8.587 10.423 -1.854 1.00 0.33 C ATOM 131 O PHE A 11 -9.382 10.606 -2.780 1.00 0.42 O ATOM 132 CB PHE A 11 -6.376 10.319 -3.014 1.00 0.35 C ATOM 133 CG PHE A 11 -6.119 11.756 -2.645 1.00 0.48 C ATOM 134 CD1 PHE A 11 -5.360 12.075 -1.529 1.00 0.66 C ATOM 135 CD2 PHE A 11 -6.640 12.785 -3.413 1.00 0.72 C ATOM 136 CE1 PHE A 11 -5.128 13.392 -1.189 1.00 0.85 C ATOM 137 CE2 PHE A 11 -6.409 14.104 -3.078 1.00 0.90 C ATOM 138 CZ PHE A 11 -5.653 14.408 -1.963 1.00 0.90 C ATOM 0 H PHE A 11 -7.822 8.265 -3.586 1.00 0.23 H new ATOM 0 HA PHE A 11 -6.820 9.472 -1.103 1.00 0.27 H new ATOM 0 HB2 PHE A 11 -5.427 9.784 -3.037 1.00 0.35 H new ATOM 0 HB3 PHE A 11 -6.788 10.280 -4.022 1.00 0.35 H new ATOM 0 HD1 PHE A 11 -4.946 11.285 -0.920 1.00 0.66 H new ATOM 0 HD2 PHE A 11 -7.234 12.552 -4.284 1.00 0.72 H new ATOM 0 HE1 PHE A 11 -4.536 13.628 -0.317 1.00 0.85 H new ATOM 0 HE2 PHE A 11 -6.819 14.897 -3.687 1.00 0.90 H new ATOM 0 HZ PHE A 11 -5.473 15.439 -1.697 1.00 0.90 H new ATOM 148 N ASP A 12 -8.763 10.917 -0.647 1.00 0.32 N ATOM 149 CA ASP A 12 -9.924 11.718 -0.324 1.00 0.39 C ATOM 150 C ASP A 12 -9.474 13.096 0.122 1.00 0.41 C ATOM 151 O ASP A 12 -8.433 13.237 0.765 1.00 0.36 O ATOM 152 CB ASP A 12 -10.747 11.049 0.775 1.00 0.42 C ATOM 153 CG ASP A 12 -12.137 11.634 0.886 1.00 0.52 C ATOM 154 OD1 ASP A 12 -13.087 11.043 0.336 1.00 0.58 O ATOM 155 OD2 ASP A 12 -12.286 12.692 1.532 1.00 0.61 O ATOM 0 H ASP A 12 -8.115 10.777 0.128 1.00 0.32 H new ATOM 0 HA ASP A 12 -10.552 11.811 -1.210 1.00 0.39 H new ATOM 0 HB2 ASP A 12 -10.820 9.981 0.572 1.00 0.42 H new ATOM 0 HB3 ASP A 12 -10.232 11.158 1.729 1.00 0.42 H new ATOM 160 N ASN A 13 -10.255 14.107 -0.222 1.00 0.52 N ATOM 161 CA ASN A 13 -9.873 15.490 0.028 1.00 0.56 C ATOM 162 C ASN A 13 -10.210 15.910 1.453 1.00 0.57 C ATOM 163 O ASN A 13 -10.089 17.084 1.810 1.00 0.65 O ATOM 164 CB ASN A 13 -10.551 16.427 -0.978 1.00 0.71 C ATOM 165 CG ASN A 13 -10.077 16.201 -2.407 1.00 1.50 C ATOM 166 OD1 ASN A 13 -9.730 15.084 -2.798 1.00 2.37 O ATOM 167 ND2 ASN A 13 -10.057 17.260 -3.197 1.00 2.16 N ATOM 0 H ASN A 13 -11.161 13.997 -0.677 1.00 0.52 H new ATOM 0 HA ASN A 13 -8.793 15.563 -0.097 1.00 0.56 H new ATOM 0 HB2 ASN A 13 -11.630 16.283 -0.931 1.00 0.71 H new ATOM 0 HB3 ASN A 13 -10.355 17.461 -0.694 1.00 0.71 H new ATOM 0 HD21 ASN A 13 -9.747 17.169 -4.165 1.00 2.16 H new ATOM 0 HD22 ASN A 13 -10.351 18.169 -2.839 1.00 2.16 H new ATOM 174 N ALA A 14 -10.642 14.950 2.263 1.00 0.55 N ATOM 175 CA ALA A 14 -10.852 15.181 3.683 1.00 0.59 C ATOM 176 C ALA A 14 -9.539 15.587 4.335 1.00 0.66 C ATOM 177 O ALA A 14 -8.525 14.909 4.162 1.00 1.31 O ATOM 178 CB ALA A 14 -11.407 13.932 4.347 1.00 0.60 C ATOM 0 H ALA A 14 -10.854 14.001 1.956 1.00 0.55 H new ATOM 0 HA ALA A 14 -11.576 15.986 3.808 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -11.558 14.122 5.410 1.00 0.60 H new ATOM 0 HB2 ALA A 14 -12.359 13.667 3.886 1.00 0.60 H new ATOM 0 HB3 ALA A 14 -10.702 13.110 4.222 1.00 0.60 H new ATOM 184 N SER A 15 -9.553 16.708 5.053 1.00 0.60 N ATOM 185 CA SER A 15 -8.344 17.251 5.668 1.00 0.54 C ATOM 186 C SER A 15 -7.292 17.535 4.586 1.00 0.52 C ATOM 187 O SER A 15 -6.086 17.571 4.855 1.00 0.53 O ATOM 188 CB SER A 15 -7.805 16.272 6.723 1.00 0.53 C ATOM 189 OG SER A 15 -6.813 16.869 7.544 1.00 1.23 O ATOM 0 H SER A 15 -10.393 17.261 5.224 1.00 0.60 H new ATOM 0 HA SER A 15 -8.581 18.190 6.168 1.00 0.54 H new ATOM 0 HB2 SER A 15 -8.628 15.921 7.346 1.00 0.53 H new ATOM 0 HB3 SER A 15 -7.386 15.397 6.226 1.00 0.53 H new ATOM 0 HG SER A 15 -6.242 17.448 6.998 1.00 1.23 H new ATOM 195 N ASN A 16 -7.783 17.725 3.357 1.00 0.53 N ATOM 196 CA ASN A 16 -6.947 17.949 2.176 1.00 0.57 C ATOM 197 C ASN A 16 -5.987 16.790 1.944 1.00 0.52 C ATOM 198 O ASN A 16 -4.922 16.956 1.348 1.00 0.68 O ATOM 199 CB ASN A 16 -6.173 19.262 2.280 1.00 0.66 C ATOM 200 CG ASN A 16 -7.080 20.474 2.235 1.00 0.76 C ATOM 201 OD1 ASN A 16 -7.538 20.955 3.269 1.00 1.08 O ATOM 202 ND2 ASN A 16 -7.353 20.971 1.039 1.00 1.30 N ATOM 0 H ASN A 16 -8.782 17.727 3.154 1.00 0.53 H new ATOM 0 HA ASN A 16 -7.618 18.014 1.320 1.00 0.57 H new ATOM 0 HB2 ASN A 16 -5.604 19.272 3.210 1.00 0.66 H new ATOM 0 HB3 ASN A 16 -5.452 19.321 1.464 1.00 0.66 H new ATOM 0 HD21 ASN A 16 -7.964 21.783 0.952 1.00 1.30 H new ATOM 0 HD22 ASN A 16 -6.952 20.542 0.205 1.00 1.30 H new ATOM 209 N GLY A 17 -6.367 15.617 2.422 1.00 0.39 N ATOM 210 CA GLY A 17 -5.558 14.445 2.209 1.00 0.34 C ATOM 211 C GLY A 17 -5.879 13.345 3.189 1.00 0.28 C ATOM 212 O GLY A 17 -5.476 13.406 4.345 1.00 0.29 O ATOM 0 H GLY A 17 -7.223 15.459 2.954 1.00 0.39 H new ATOM 0 HA2 GLY A 17 -5.711 14.080 1.193 1.00 0.34 H new ATOM 0 HA3 GLY A 17 -4.505 14.712 2.297 1.00 0.34 H new ATOM 216 N THR A 18 -6.625 12.359 2.737 1.00 0.27 N ATOM 217 CA THR A 18 -6.905 11.178 3.536 1.00 0.24 C ATOM 218 C THR A 18 -6.794 9.928 2.673 1.00 0.18 C ATOM 219 O THR A 18 -7.080 9.969 1.474 1.00 0.19 O ATOM 220 CB THR A 18 -8.312 11.238 4.177 1.00 0.30 C ATOM 221 OG1 THR A 18 -8.439 12.414 4.988 1.00 0.40 O ATOM 222 CG2 THR A 18 -8.576 10.009 5.036 1.00 0.33 C ATOM 0 H THR A 18 -7.054 12.350 1.811 1.00 0.27 H new ATOM 0 HA THR A 18 -6.169 11.143 4.339 1.00 0.24 H new ATOM 0 HB THR A 18 -9.043 11.267 3.369 1.00 0.30 H new ATOM 0 HG1 THR A 18 -8.523 13.202 4.411 1.00 0.40 H new ATOM 0 HG21 THR A 18 -9.572 10.078 5.474 1.00 0.33 H new ATOM 0 HG22 THR A 18 -8.513 9.113 4.418 1.00 0.33 H new ATOM 0 HG23 THR A 18 -7.833 9.955 5.832 1.00 0.33 H new ATOM 230 N LEU A 19 -6.371 8.827 3.278 1.00 0.15 N ATOM 231 CA LEU A 19 -6.289 7.563 2.577 1.00 0.13 C ATOM 232 C LEU A 19 -7.437 6.670 2.977 1.00 0.14 C ATOM 233 O LEU A 19 -7.853 6.647 4.136 1.00 0.21 O ATOM 234 CB LEU A 19 -4.978 6.840 2.860 1.00 0.14 C ATOM 235 CG LEU A 19 -3.725 7.531 2.353 1.00 0.24 C ATOM 236 CD1 LEU A 19 -2.570 6.548 2.358 1.00 0.54 C ATOM 237 CD2 LEU A 19 -3.966 8.102 0.962 1.00 0.58 C ATOM 0 H LEU A 19 -6.080 8.788 4.255 1.00 0.15 H new ATOM 0 HA LEU A 19 -6.338 7.784 1.511 1.00 0.13 H new ATOM 0 HB2 LEU A 19 -4.885 6.703 3.937 1.00 0.14 H new ATOM 0 HB3 LEU A 19 -5.029 5.846 2.415 1.00 0.14 H new ATOM 0 HG LEU A 19 -3.471 8.362 3.011 1.00 0.24 H new ATOM 0 HD11 LEU A 19 -1.670 7.043 1.994 1.00 0.54 H new ATOM 0 HD12 LEU A 19 -2.402 6.189 3.373 1.00 0.54 H new ATOM 0 HD13 LEU A 19 -2.807 5.704 1.710 1.00 0.54 H new ATOM 0 HD21 LEU A 19 -3.060 8.595 0.609 1.00 0.58 H new ATOM 0 HD22 LEU A 19 -4.230 7.295 0.278 1.00 0.58 H new ATOM 0 HD23 LEU A 19 -4.781 8.825 1.002 1.00 0.58 H new ATOM 249 N PHE A 20 -7.926 5.929 2.016 1.00 0.13 N ATOM 250 CA PHE A 20 -9.090 5.099 2.203 1.00 0.14 C ATOM 251 C PHE A 20 -8.865 3.755 1.522 1.00 0.13 C ATOM 252 O PHE A 20 -8.455 3.700 0.370 1.00 0.12 O ATOM 253 CB PHE A 20 -10.314 5.874 1.648 1.00 0.15 C ATOM 254 CG PHE A 20 -11.554 5.084 1.319 1.00 0.16 C ATOM 255 CD1 PHE A 20 -11.802 3.864 1.898 1.00 0.17 C ATOM 256 CD2 PHE A 20 -12.475 5.587 0.413 1.00 0.17 C ATOM 257 CE1 PHE A 20 -12.934 3.148 1.586 1.00 0.19 C ATOM 258 CE2 PHE A 20 -13.616 4.878 0.094 1.00 0.19 C ATOM 259 CZ PHE A 20 -13.846 3.653 0.683 1.00 0.19 C ATOM 0 H PHE A 20 -7.527 5.884 1.078 1.00 0.13 H new ATOM 0 HA PHE A 20 -9.277 4.882 3.255 1.00 0.14 H new ATOM 0 HB2 PHE A 20 -10.586 6.637 2.377 1.00 0.15 H new ATOM 0 HB3 PHE A 20 -9.999 6.395 0.744 1.00 0.15 H new ATOM 0 HD1 PHE A 20 -11.097 3.460 2.610 1.00 0.17 H new ATOM 0 HD2 PHE A 20 -12.298 6.547 -0.050 1.00 0.17 H new ATOM 0 HE1 PHE A 20 -13.109 2.188 2.049 1.00 0.19 H new ATOM 0 HE2 PHE A 20 -14.325 5.281 -0.614 1.00 0.19 H new ATOM 0 HZ PHE A 20 -14.736 3.092 0.439 1.00 0.19 H new ATOM 269 N ILE A 21 -9.083 2.680 2.262 1.00 0.15 N ATOM 270 CA ILE A 21 -9.005 1.344 1.700 1.00 0.16 C ATOM 271 C ILE A 21 -10.403 0.767 1.543 1.00 0.18 C ATOM 272 O ILE A 21 -11.095 0.472 2.520 1.00 0.23 O ATOM 273 CB ILE A 21 -8.123 0.401 2.551 1.00 0.20 C ATOM 274 CG1 ILE A 21 -8.172 -1.020 1.984 1.00 0.24 C ATOM 275 CG2 ILE A 21 -8.551 0.414 4.013 1.00 0.24 C ATOM 276 CD1 ILE A 21 -7.217 -1.976 2.657 1.00 0.28 C ATOM 0 H ILE A 21 -9.316 2.708 3.255 1.00 0.15 H new ATOM 0 HA ILE A 21 -8.532 1.425 0.721 1.00 0.16 H new ATOM 0 HB ILE A 21 -7.095 0.762 2.506 1.00 0.20 H new ATOM 0 HG12 ILE A 21 -9.187 -1.406 2.081 1.00 0.24 H new ATOM 0 HG13 ILE A 21 -7.946 -0.984 0.918 1.00 0.24 H new ATOM 0 HG21 ILE A 21 -7.912 -0.259 4.585 1.00 0.24 H new ATOM 0 HG22 ILE A 21 -8.461 1.425 4.410 1.00 0.24 H new ATOM 0 HG23 ILE A 21 -9.587 0.085 4.092 1.00 0.24 H new ATOM 0 HD11 ILE A 21 -7.309 -2.962 2.202 1.00 0.28 H new ATOM 0 HD12 ILE A 21 -6.196 -1.615 2.537 1.00 0.28 H new ATOM 0 HD13 ILE A 21 -7.456 -2.042 3.718 1.00 0.28 H new ATOM 288 N VAL A 22 -10.828 0.648 0.303 1.00 0.16 N ATOM 289 CA VAL A 22 -12.160 0.161 0.009 1.00 0.18 C ATOM 290 C VAL A 22 -12.160 -1.352 -0.179 1.00 0.18 C ATOM 291 O VAL A 22 -11.410 -1.896 -0.994 1.00 0.22 O ATOM 292 CB VAL A 22 -12.745 0.849 -1.246 1.00 0.21 C ATOM 293 CG1 VAL A 22 -11.886 0.582 -2.451 1.00 0.22 C ATOM 294 CG2 VAL A 22 -14.185 0.414 -1.486 1.00 0.24 C ATOM 0 H VAL A 22 -10.270 0.882 -0.518 1.00 0.16 H new ATOM 0 HA VAL A 22 -12.791 0.407 0.863 1.00 0.18 H new ATOM 0 HB VAL A 22 -12.750 1.925 -1.072 1.00 0.21 H new ATOM 0 HG11 VAL A 22 -12.317 1.076 -3.322 1.00 0.22 H new ATOM 0 HG12 VAL A 22 -10.882 0.968 -2.275 1.00 0.22 H new ATOM 0 HG13 VAL A 22 -11.835 -0.492 -2.631 1.00 0.22 H new ATOM 0 HG21 VAL A 22 -14.572 0.913 -2.375 1.00 0.24 H new ATOM 0 HG22 VAL A 22 -14.219 -0.666 -1.632 1.00 0.24 H new ATOM 0 HG23 VAL A 22 -14.795 0.683 -0.624 1.00 0.24 H new ATOM 304 N TRP A 23 -12.982 -2.030 0.599 1.00 0.19 N ATOM 305 CA TRP A 23 -13.209 -3.446 0.397 1.00 0.21 C ATOM 306 C TRP A 23 -14.519 -3.638 -0.340 1.00 0.24 C ATOM 307 O TRP A 23 -15.603 -3.436 0.212 1.00 0.27 O ATOM 308 CB TRP A 23 -13.185 -4.216 1.719 1.00 0.23 C ATOM 309 CG TRP A 23 -11.789 -4.515 2.173 1.00 0.23 C ATOM 310 CD1 TRP A 23 -11.191 -4.116 3.333 1.00 0.29 C ATOM 311 CD2 TRP A 23 -10.803 -5.260 1.447 1.00 0.21 C ATOM 312 NE1 TRP A 23 -9.896 -4.578 3.376 1.00 0.31 N ATOM 313 CE2 TRP A 23 -9.635 -5.279 2.227 1.00 0.26 C ATOM 314 CE3 TRP A 23 -10.797 -5.919 0.211 1.00 0.22 C ATOM 315 CZ2 TRP A 23 -8.474 -5.925 1.809 1.00 0.28 C ATOM 316 CZ3 TRP A 23 -9.641 -6.555 -0.200 1.00 0.26 C ATOM 317 CH2 TRP A 23 -8.493 -6.555 0.600 1.00 0.27 C ATOM 0 H TRP A 23 -13.503 -1.623 1.376 1.00 0.19 H new ATOM 0 HA TRP A 23 -12.399 -3.853 -0.208 1.00 0.21 H new ATOM 0 HB2 TRP A 23 -13.698 -3.635 2.485 1.00 0.23 H new ATOM 0 HB3 TRP A 23 -13.736 -5.149 1.604 1.00 0.23 H new ATOM 0 HD1 TRP A 23 -11.664 -3.525 4.103 1.00 0.29 H new ATOM 0 HE1 TRP A 23 -9.237 -4.424 4.139 1.00 0.31 H new ATOM 0 HE3 TRP A 23 -11.681 -5.930 -0.410 1.00 0.22 H new ATOM 0 HZ2 TRP A 23 -7.586 -5.927 2.424 1.00 0.28 H new ATOM 0 HZ3 TRP A 23 -9.623 -7.060 -1.154 1.00 0.26 H new ATOM 0 HH2 TRP A 23 -7.605 -7.063 0.253 1.00 0.27 H new ATOM 328 N LYS A 24 -14.404 -4.004 -1.603 1.00 0.25 N ATOM 329 CA LYS A 24 -15.544 -4.067 -2.489 1.00 0.28 C ATOM 330 C LYS A 24 -15.348 -5.165 -3.527 1.00 0.33 C ATOM 331 O LYS A 24 -14.216 -5.568 -3.812 1.00 0.39 O ATOM 332 CB LYS A 24 -15.762 -2.720 -3.175 1.00 0.29 C ATOM 333 CG LYS A 24 -14.824 -2.434 -4.314 1.00 0.35 C ATOM 334 CD LYS A 24 -13.385 -2.370 -3.862 1.00 0.61 C ATOM 335 CE LYS A 24 -12.426 -2.534 -5.024 1.00 1.14 C ATOM 336 NZ LYS A 24 -12.356 -3.940 -5.502 1.00 1.36 N ATOM 0 H LYS A 24 -13.520 -4.265 -2.039 1.00 0.25 H new ATOM 0 HA LYS A 24 -16.429 -4.301 -1.898 1.00 0.28 H new ATOM 0 HB2 LYS A 24 -16.786 -2.679 -3.547 1.00 0.29 H new ATOM 0 HB3 LYS A 24 -15.661 -1.929 -2.432 1.00 0.29 H new ATOM 0 HG2 LYS A 24 -14.931 -3.208 -5.074 1.00 0.35 H new ATOM 0 HG3 LYS A 24 -15.099 -1.488 -4.781 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -13.200 -1.415 -3.369 1.00 0.61 H new ATOM 0 HD3 LYS A 24 -13.200 -3.151 -3.124 1.00 0.61 H new ATOM 0 HE2 LYS A 24 -12.739 -1.888 -5.845 1.00 1.14 H new ATOM 0 HE3 LYS A 24 -11.432 -2.205 -4.721 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 -11.469 -4.085 -6.026 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 -12.386 -4.586 -4.687 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 -13.164 -4.135 -6.128 1.00 1.36 H new ATOM 350 N LYS A 25 -16.446 -5.644 -4.087 1.00 0.36 N ATOM 351 CA LYS A 25 -16.390 -6.651 -5.132 1.00 0.42 C ATOM 352 C LYS A 25 -16.692 -6.007 -6.478 1.00 0.45 C ATOM 353 O LYS A 25 -17.151 -6.658 -7.415 1.00 0.56 O ATOM 354 CB LYS A 25 -17.369 -7.795 -4.849 1.00 0.49 C ATOM 355 CG LYS A 25 -17.048 -8.587 -3.587 1.00 0.67 C ATOM 356 CD LYS A 25 -17.565 -7.902 -2.339 1.00 0.70 C ATOM 357 CE LYS A 25 -18.920 -8.453 -1.951 1.00 0.94 C ATOM 358 NZ LYS A 25 -19.423 -7.871 -0.681 1.00 1.94 N ATOM 0 H LYS A 25 -17.390 -5.350 -3.834 1.00 0.36 H new ATOM 0 HA LYS A 25 -15.386 -7.075 -5.155 1.00 0.42 H new ATOM 0 HB2 LYS A 25 -18.375 -7.385 -4.762 1.00 0.49 H new ATOM 0 HB3 LYS A 25 -17.374 -8.475 -5.701 1.00 0.49 H new ATOM 0 HG2 LYS A 25 -17.487 -9.582 -3.662 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -15.969 -8.720 -3.507 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -16.860 -8.046 -1.520 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -17.639 -6.828 -2.511 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -19.634 -8.250 -2.749 1.00 0.94 H new ATOM 0 HE3 LYS A 25 -18.854 -9.536 -1.850 1.00 0.94 H new ATOM 0 HZ1 LYS A 25 -20.255 -8.406 -0.359 1.00 1.94 H new ATOM 0 HZ2 LYS A 25 -18.678 -7.921 0.043 1.00 1.94 H new ATOM 0 HZ3 LYS A 25 -19.689 -6.878 -0.836 1.00 1.94 H new ATOM 372 N GLU A 26 -16.412 -4.715 -6.548 1.00 0.40 N ATOM 373 CA GLU A 26 -16.618 -3.920 -7.748 1.00 0.45 C ATOM 374 C GLU A 26 -15.351 -3.117 -8.041 1.00 0.41 C ATOM 375 O GLU A 26 -14.412 -3.129 -7.247 1.00 0.42 O ATOM 376 CB GLU A 26 -17.820 -2.991 -7.546 1.00 0.49 C ATOM 377 CG GLU A 26 -17.669 -2.059 -6.357 1.00 1.23 C ATOM 378 CD GLU A 26 -18.962 -1.375 -5.977 1.00 1.20 C ATOM 379 OE1 GLU A 26 -19.314 -0.366 -6.624 1.00 1.45 O ATOM 380 OE2 GLU A 26 -19.639 -1.845 -5.042 1.00 1.19 O ATOM 0 H GLU A 26 -16.031 -4.184 -5.765 1.00 0.40 H new ATOM 0 HA GLU A 26 -16.825 -4.570 -8.598 1.00 0.45 H new ATOM 0 HB2 GLU A 26 -17.966 -2.397 -8.448 1.00 0.49 H new ATOM 0 HB3 GLU A 26 -18.718 -3.595 -7.413 1.00 0.49 H new ATOM 0 HG2 GLU A 26 -17.299 -2.626 -5.503 1.00 1.23 H new ATOM 0 HG3 GLU A 26 -16.918 -1.303 -6.587 1.00 1.23 H new ATOM 387 N LYS A 27 -15.316 -2.424 -9.165 1.00 0.48 N ATOM 388 CA LYS A 27 -14.118 -1.696 -9.562 1.00 0.49 C ATOM 389 C LYS A 27 -14.274 -0.207 -9.271 1.00 0.47 C ATOM 390 O LYS A 27 -14.916 0.516 -10.029 1.00 0.68 O ATOM 391 CB LYS A 27 -13.838 -1.924 -11.052 1.00 0.64 C ATOM 392 CG LYS A 27 -12.420 -1.568 -11.490 1.00 1.53 C ATOM 393 CD LYS A 27 -12.389 -0.362 -12.420 1.00 1.71 C ATOM 394 CE LYS A 27 -12.115 0.931 -11.670 1.00 1.60 C ATOM 395 NZ LYS A 27 -10.721 0.983 -11.150 1.00 2.35 N ATOM 0 H LYS A 27 -16.096 -2.348 -9.817 1.00 0.48 H new ATOM 0 HA LYS A 27 -13.273 -2.069 -8.983 1.00 0.49 H new ATOM 0 HB2 LYS A 27 -14.026 -2.971 -11.288 1.00 0.64 H new ATOM 0 HB3 LYS A 27 -14.544 -1.334 -11.636 1.00 0.64 H new ATOM 0 HG2 LYS A 27 -11.811 -1.361 -10.610 1.00 1.53 H new ATOM 0 HG3 LYS A 27 -11.972 -2.424 -11.994 1.00 1.53 H new ATOM 0 HD2 LYS A 27 -11.621 -0.510 -13.179 1.00 1.71 H new ATOM 0 HD3 LYS A 27 -13.343 -0.283 -12.942 1.00 1.71 H new ATOM 0 HE2 LYS A 27 -12.288 1.779 -12.332 1.00 1.60 H new ATOM 0 HE3 LYS A 27 -12.816 1.026 -10.841 1.00 1.60 H new ATOM 0 HZ1 LYS A 27 -10.696 1.550 -10.279 1.00 2.35 H new ATOM 0 HZ2 LYS A 27 -10.391 0.018 -10.944 1.00 2.35 H new ATOM 0 HZ3 LYS A 27 -10.100 1.417 -11.863 1.00 2.35 H new ATOM 409 N VAL A 28 -13.684 0.245 -8.169 1.00 0.43 N ATOM 410 CA VAL A 28 -13.753 1.653 -7.795 1.00 0.42 C ATOM 411 C VAL A 28 -12.619 2.436 -8.466 1.00 0.40 C ATOM 412 O VAL A 28 -11.485 1.960 -8.561 1.00 0.51 O ATOM 413 CB VAL A 28 -13.730 1.860 -6.253 1.00 0.52 C ATOM 414 CG1 VAL A 28 -14.087 0.581 -5.521 1.00 1.16 C ATOM 415 CG2 VAL A 28 -12.391 2.380 -5.785 1.00 1.07 C ATOM 0 H VAL A 28 -13.155 -0.340 -7.522 1.00 0.43 H new ATOM 0 HA VAL A 28 -14.710 2.037 -8.149 1.00 0.42 H new ATOM 0 HB VAL A 28 -14.485 2.610 -6.018 1.00 0.52 H new ATOM 0 HG11 VAL A 28 -14.062 0.758 -4.446 1.00 1.16 H new ATOM 0 HG12 VAL A 28 -15.087 0.262 -5.813 1.00 1.16 H new ATOM 0 HG13 VAL A 28 -13.368 -0.198 -5.777 1.00 1.16 H new ATOM 0 HG21 VAL A 28 -12.410 2.513 -4.703 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -11.611 1.666 -6.049 1.00 1.07 H new ATOM 0 HG23 VAL A 28 -12.184 3.337 -6.265 1.00 1.07 H new ATOM 425 N GLU A 29 -12.951 3.599 -9.001 1.00 0.37 N ATOM 426 CA GLU A 29 -11.958 4.503 -9.571 1.00 0.37 C ATOM 427 C GLU A 29 -11.486 5.514 -8.530 1.00 0.32 C ATOM 428 O GLU A 29 -11.868 5.426 -7.359 1.00 0.33 O ATOM 429 CB GLU A 29 -12.540 5.229 -10.785 1.00 0.45 C ATOM 430 CG GLU A 29 -12.832 4.311 -11.959 1.00 0.74 C ATOM 431 CD GLU A 29 -13.269 5.058 -13.201 1.00 1.33 C ATOM 432 OE1 GLU A 29 -14.411 5.554 -13.235 1.00 1.80 O ATOM 433 OE2 GLU A 29 -12.474 5.132 -14.163 1.00 1.98 O ATOM 0 H GLU A 29 -13.909 3.944 -9.054 1.00 0.37 H new ATOM 0 HA GLU A 29 -11.099 3.912 -9.890 1.00 0.37 H new ATOM 0 HB2 GLU A 29 -13.461 5.732 -10.490 1.00 0.45 H new ATOM 0 HB3 GLU A 29 -11.842 6.003 -11.104 1.00 0.45 H new ATOM 0 HG2 GLU A 29 -11.940 3.728 -12.188 1.00 0.74 H new ATOM 0 HG3 GLU A 29 -13.611 3.603 -11.675 1.00 0.74 H new ATOM 440 N ASN A 30 -10.647 6.463 -8.963 1.00 0.33 N ATOM 441 CA ASN A 30 -10.124 7.523 -8.087 1.00 0.34 C ATOM 442 C ASN A 30 -9.141 6.935 -7.068 1.00 0.27 C ATOM 443 O ASN A 30 -8.873 7.514 -6.015 1.00 0.31 O ATOM 444 CB ASN A 30 -11.289 8.268 -7.397 1.00 0.40 C ATOM 445 CG ASN A 30 -10.860 9.492 -6.599 1.00 1.17 C ATOM 446 OD1 ASN A 30 -10.793 9.353 -5.283 1.00 1.67 O flip ATOM 447 ND2 ASN A 30 -10.636 10.566 -7.157 1.00 2.06 N flip ATOM 0 H ASN A 30 -10.312 6.519 -9.925 1.00 0.33 H new ATOM 0 HA ASN A 30 -9.578 8.249 -8.689 1.00 0.34 H new ATOM 0 HB2 ASN A 30 -12.009 8.576 -8.155 1.00 0.40 H new ATOM 0 HB3 ASN A 30 -11.805 7.576 -6.731 1.00 0.40 H new ATOM 0 HD21 ASN A 30 -10.697 10.635 -8.173 1.00 2.06 H new ATOM 0 HD22 ASN A 30 -10.389 11.387 -6.604 1.00 2.06 H new ATOM 454 N ALA A 31 -8.576 5.786 -7.407 1.00 0.21 N ATOM 455 CA ALA A 31 -7.686 5.085 -6.504 1.00 0.18 C ATOM 456 C ALA A 31 -6.232 5.221 -6.945 1.00 0.17 C ATOM 457 O ALA A 31 -5.934 5.316 -8.136 1.00 0.20 O ATOM 458 CB ALA A 31 -8.084 3.625 -6.425 1.00 0.17 C ATOM 0 H ALA A 31 -8.721 5.321 -8.303 1.00 0.21 H new ATOM 0 HA ALA A 31 -7.774 5.534 -5.515 1.00 0.18 H new ATOM 0 HB1 ALA A 31 -7.412 3.101 -5.745 1.00 0.17 H new ATOM 0 HB2 ALA A 31 -9.107 3.546 -6.057 1.00 0.17 H new ATOM 0 HB3 ALA A 31 -8.019 3.176 -7.416 1.00 0.17 H new ATOM 464 N LEU A 32 -5.336 5.247 -5.971 1.00 0.17 N ATOM 465 CA LEU A 32 -3.908 5.394 -6.228 1.00 0.18 C ATOM 466 C LEU A 32 -3.236 4.029 -6.204 1.00 0.17 C ATOM 467 O LEU A 32 -2.167 3.839 -6.768 1.00 0.19 O ATOM 468 CB LEU A 32 -3.246 6.298 -5.172 1.00 0.22 C ATOM 469 CG LEU A 32 -3.576 7.798 -5.203 1.00 0.29 C ATOM 470 CD1 LEU A 32 -4.955 8.072 -5.767 1.00 0.38 C ATOM 471 CD2 LEU A 32 -3.449 8.387 -3.810 1.00 0.28 C ATOM 0 H LEU A 32 -5.575 5.167 -4.983 1.00 0.17 H new ATOM 0 HA LEU A 32 -3.788 5.853 -7.209 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -3.517 5.916 -4.188 1.00 0.22 H new ATOM 0 HB3 LEU A 32 -2.166 6.191 -5.270 1.00 0.22 H new ATOM 0 HG LEU A 32 -2.857 8.277 -5.868 1.00 0.29 H new ATOM 0 HD11 LEU A 32 -5.141 9.146 -5.768 1.00 0.38 H new ATOM 0 HD12 LEU A 32 -5.013 7.693 -6.787 1.00 0.38 H new ATOM 0 HD13 LEU A 32 -5.705 7.574 -5.152 1.00 0.38 H new ATOM 0 HD21 LEU A 32 -3.685 9.451 -3.842 1.00 0.28 H new ATOM 0 HD22 LEU A 32 -4.142 7.882 -3.137 1.00 0.28 H new ATOM 0 HD23 LEU A 32 -2.429 8.252 -3.450 1.00 0.28 H new ATOM 483 N MET A 33 -3.874 3.081 -5.530 1.00 0.15 N ATOM 484 CA MET A 33 -3.324 1.731 -5.384 1.00 0.14 C ATOM 485 C MET A 33 -4.438 0.694 -5.320 1.00 0.12 C ATOM 486 O MET A 33 -5.610 1.045 -5.191 1.00 0.12 O ATOM 487 CB MET A 33 -2.455 1.612 -4.133 1.00 0.14 C ATOM 488 CG MET A 33 -1.236 2.513 -4.121 1.00 0.17 C ATOM 489 SD MET A 33 -0.341 2.407 -2.568 1.00 0.17 S ATOM 490 CE MET A 33 -0.077 0.641 -2.481 1.00 0.20 C ATOM 0 H MET A 33 -4.776 3.218 -5.073 1.00 0.15 H new ATOM 0 HA MET A 33 -2.704 1.543 -6.261 1.00 0.14 H new ATOM 0 HB2 MET A 33 -3.066 1.839 -3.260 1.00 0.14 H new ATOM 0 HB3 MET A 33 -2.127 0.578 -4.032 1.00 0.14 H new ATOM 0 HG2 MET A 33 -0.573 2.238 -4.942 1.00 0.17 H new ATOM 0 HG3 MET A 33 -1.545 3.544 -4.292 1.00 0.17 H new ATOM 0 HE1 MET A 33 0.560 0.410 -1.627 1.00 0.20 H new ATOM 0 HE2 MET A 33 -1.036 0.135 -2.366 1.00 0.20 H new ATOM 0 HE3 MET A 33 0.406 0.300 -3.397 1.00 0.20 H new ATOM 500 N PHE A 34 -4.064 -0.581 -5.392 1.00 0.12 N ATOM 501 CA PHE A 34 -5.034 -1.667 -5.465 1.00 0.12 C ATOM 502 C PHE A 34 -4.481 -2.930 -4.798 1.00 0.11 C ATOM 503 O PHE A 34 -3.269 -3.100 -4.677 1.00 0.12 O ATOM 504 CB PHE A 34 -5.394 -1.932 -6.938 1.00 0.13 C ATOM 505 CG PHE A 34 -6.278 -3.131 -7.170 1.00 0.15 C ATOM 506 CD1 PHE A 34 -5.733 -4.332 -7.590 1.00 0.17 C ATOM 507 CD2 PHE A 34 -7.646 -3.054 -6.981 1.00 0.19 C ATOM 508 CE1 PHE A 34 -6.535 -5.433 -7.812 1.00 0.21 C ATOM 509 CE2 PHE A 34 -8.455 -4.152 -7.199 1.00 0.23 C ATOM 510 CZ PHE A 34 -7.899 -5.343 -7.616 1.00 0.23 C ATOM 0 H PHE A 34 -3.091 -0.887 -5.401 1.00 0.12 H new ATOM 0 HA PHE A 34 -5.938 -1.380 -4.928 1.00 0.12 H new ATOM 0 HB2 PHE A 34 -5.891 -1.049 -7.340 1.00 0.13 H new ATOM 0 HB3 PHE A 34 -4.472 -2.064 -7.504 1.00 0.13 H new ATOM 0 HD1 PHE A 34 -4.667 -4.408 -7.746 1.00 0.17 H new ATOM 0 HD2 PHE A 34 -8.088 -2.123 -6.659 1.00 0.19 H new ATOM 0 HE1 PHE A 34 -6.096 -6.364 -8.139 1.00 0.21 H new ATOM 0 HE2 PHE A 34 -9.521 -4.078 -7.043 1.00 0.23 H new ATOM 0 HZ PHE A 34 -8.529 -6.203 -7.789 1.00 0.23 H new ATOM 520 N ILE A 35 -5.383 -3.792 -4.350 1.00 0.11 N ATOM 521 CA ILE A 35 -5.031 -5.075 -3.750 1.00 0.12 C ATOM 522 C ILE A 35 -5.846 -6.174 -4.403 1.00 0.12 C ATOM 523 O ILE A 35 -7.065 -6.049 -4.519 1.00 0.16 O ATOM 524 CB ILE A 35 -5.336 -5.121 -2.237 1.00 0.13 C ATOM 525 CG1 ILE A 35 -4.522 -4.086 -1.471 1.00 0.13 C ATOM 526 CG2 ILE A 35 -5.067 -6.512 -1.683 1.00 0.15 C ATOM 527 CD1 ILE A 35 -4.876 -4.019 0.001 1.00 0.14 C ATOM 0 H ILE A 35 -6.388 -3.621 -4.392 1.00 0.11 H new ATOM 0 HA ILE A 35 -3.960 -5.211 -3.901 1.00 0.12 H new ATOM 0 HB ILE A 35 -6.392 -4.883 -2.106 1.00 0.13 H new ATOM 0 HG12 ILE A 35 -3.462 -4.319 -1.573 1.00 0.13 H new ATOM 0 HG13 ILE A 35 -4.678 -3.105 -1.921 1.00 0.13 H new ATOM 0 HG21 ILE A 35 -5.287 -6.527 -0.616 1.00 0.15 H new ATOM 0 HG22 ILE A 35 -5.701 -7.236 -2.195 1.00 0.15 H new ATOM 0 HG23 ILE A 35 -4.020 -6.771 -1.841 1.00 0.15 H new ATOM 0 HD11 ILE A 35 -4.261 -3.263 0.489 1.00 0.14 H new ATOM 0 HD12 ILE A 35 -5.928 -3.757 0.111 1.00 0.14 H new ATOM 0 HD13 ILE A 35 -4.694 -4.989 0.464 1.00 0.14 H new ATOM 539 N LYS A 36 -5.197 -7.247 -4.815 1.00 0.13 N ATOM 540 CA LYS A 36 -5.921 -8.372 -5.370 1.00 0.15 C ATOM 541 C LYS A 36 -5.693 -9.605 -4.503 1.00 0.16 C ATOM 542 O LYS A 36 -4.602 -10.170 -4.486 1.00 0.22 O ATOM 543 CB LYS A 36 -5.443 -8.616 -6.802 1.00 0.25 C ATOM 544 CG LYS A 36 -6.545 -9.050 -7.760 1.00 0.64 C ATOM 545 CD LYS A 36 -6.713 -10.559 -7.801 1.00 0.70 C ATOM 546 CE LYS A 36 -5.527 -11.231 -8.478 1.00 1.57 C ATOM 547 NZ LYS A 36 -5.780 -12.668 -8.749 1.00 2.38 N ATOM 0 H LYS A 36 -4.184 -7.362 -4.777 1.00 0.13 H new ATOM 0 HA LYS A 36 -6.990 -8.159 -5.387 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -4.985 -7.702 -7.182 1.00 0.25 H new ATOM 0 HB3 LYS A 36 -4.666 -9.380 -6.789 1.00 0.25 H new ATOM 0 HG2 LYS A 36 -7.486 -8.590 -7.459 1.00 0.64 H new ATOM 0 HG3 LYS A 36 -6.317 -8.685 -8.761 1.00 0.64 H new ATOM 0 HD2 LYS A 36 -6.820 -10.942 -6.786 1.00 0.70 H new ATOM 0 HD3 LYS A 36 -7.629 -10.810 -8.335 1.00 0.70 H new ATOM 0 HE2 LYS A 36 -5.307 -10.719 -9.415 1.00 1.57 H new ATOM 0 HE3 LYS A 36 -4.645 -11.132 -7.846 1.00 1.57 H new ATOM 0 HZ1 LYS A 36 -4.947 -13.086 -9.210 1.00 2.38 H new ATOM 0 HZ2 LYS A 36 -5.965 -13.163 -7.853 1.00 2.38 H new ATOM 0 HZ3 LYS A 36 -6.606 -12.763 -9.374 1.00 2.38 H new ATOM 561 N PRO A 37 -6.725 -10.040 -3.769 1.00 0.17 N ATOM 562 CA PRO A 37 -6.657 -11.232 -2.929 1.00 0.21 C ATOM 563 C PRO A 37 -6.825 -12.518 -3.729 1.00 0.27 C ATOM 564 O PRO A 37 -7.778 -12.662 -4.497 1.00 0.35 O ATOM 565 CB PRO A 37 -7.832 -11.069 -1.951 1.00 0.24 C ATOM 566 CG PRO A 37 -8.442 -9.736 -2.248 1.00 0.23 C ATOM 567 CD PRO A 37 -8.019 -9.371 -3.640 1.00 0.18 C ATOM 0 HA PRO A 37 -5.686 -11.315 -2.440 1.00 0.21 H new ATOM 0 HB2 PRO A 37 -8.561 -11.868 -2.082 1.00 0.24 H new ATOM 0 HB3 PRO A 37 -7.488 -11.118 -0.918 1.00 0.24 H new ATOM 0 HG2 PRO A 37 -9.528 -9.782 -2.173 1.00 0.23 H new ATOM 0 HG3 PRO A 37 -8.104 -8.987 -1.532 1.00 0.23 H new ATOM 0 HD2 PRO A 37 -8.733 -9.723 -4.385 1.00 0.18 H new ATOM 0 HD3 PRO A 37 -7.931 -8.292 -3.767 1.00 0.18 H new ATOM 575 N THR A 38 -5.887 -13.439 -3.559 1.00 0.31 N ATOM 576 CA THR A 38 -6.004 -14.770 -4.138 1.00 0.38 C ATOM 577 C THR A 38 -6.788 -15.654 -3.186 1.00 0.44 C ATOM 578 O THR A 38 -7.474 -16.597 -3.587 1.00 0.54 O ATOM 579 CB THR A 38 -4.617 -15.378 -4.391 1.00 0.48 C ATOM 580 OG1 THR A 38 -3.834 -15.306 -3.193 1.00 0.86 O ATOM 581 CG2 THR A 38 -3.904 -14.632 -5.501 1.00 0.78 C ATOM 0 H THR A 38 -5.033 -13.288 -3.022 1.00 0.31 H new ATOM 0 HA THR A 38 -6.523 -14.698 -5.094 1.00 0.38 H new ATOM 0 HB THR A 38 -4.743 -16.419 -4.689 1.00 0.48 H new ATOM 0 HG1 THR A 38 -3.203 -16.056 -3.169 1.00 0.86 H new ATOM 0 HG21 THR A 38 -2.923 -15.077 -5.666 1.00 0.78 H new ATOM 0 HG22 THR A 38 -4.491 -14.696 -6.418 1.00 0.78 H new ATOM 0 HG23 THR A 38 -3.785 -13.586 -5.218 1.00 0.78 H new ATOM 589 N LYS A 39 -6.683 -15.305 -1.916 1.00 0.48 N ATOM 590 CA LYS A 39 -7.438 -15.955 -0.861 1.00 0.63 C ATOM 591 C LYS A 39 -8.797 -15.284 -0.747 1.00 0.58 C ATOM 592 O LYS A 39 -8.974 -14.153 -1.205 1.00 0.54 O ATOM 593 CB LYS A 39 -6.695 -15.828 0.470 1.00 0.78 C ATOM 594 CG LYS A 39 -5.294 -16.425 0.469 1.00 0.93 C ATOM 595 CD LYS A 39 -5.314 -17.946 0.406 1.00 1.09 C ATOM 596 CE LYS A 39 -5.931 -18.555 1.659 1.00 1.65 C ATOM 597 NZ LYS A 39 -5.198 -18.167 2.894 1.00 2.16 N ATOM 0 H LYS A 39 -6.069 -14.560 -1.587 1.00 0.48 H new ATOM 0 HA LYS A 39 -7.560 -17.012 -1.098 1.00 0.63 H new ATOM 0 HB2 LYS A 39 -6.627 -14.773 0.735 1.00 0.78 H new ATOM 0 HB3 LYS A 39 -7.283 -16.314 1.248 1.00 0.78 H new ATOM 0 HG2 LYS A 39 -4.736 -16.036 -0.383 1.00 0.93 H new ATOM 0 HG3 LYS A 39 -4.766 -16.108 1.368 1.00 0.93 H new ATOM 0 HD2 LYS A 39 -5.878 -18.266 -0.470 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -4.297 -18.318 0.284 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -6.970 -18.237 1.741 1.00 1.65 H new ATOM 0 HE3 LYS A 39 -5.936 -19.641 1.568 1.00 1.65 H new ATOM 0 HZ1 LYS A 39 -5.482 -18.790 3.677 1.00 2.16 H new ATOM 0 HZ2 LYS A 39 -4.175 -18.258 2.733 1.00 2.16 H new ATOM 0 HZ3 LYS A 39 -5.424 -17.181 3.136 1.00 2.16 H new ATOM 611 N GLU A 40 -9.755 -15.979 -0.155 1.00 0.66 N ATOM 612 CA GLU A 40 -11.082 -15.422 0.029 1.00 0.64 C ATOM 613 C GLU A 40 -11.025 -14.296 1.046 1.00 0.57 C ATOM 614 O GLU A 40 -10.455 -14.449 2.127 1.00 0.62 O ATOM 615 CB GLU A 40 -12.064 -16.504 0.474 1.00 0.76 C ATOM 616 CG GLU A 40 -13.501 -16.025 0.545 1.00 1.44 C ATOM 617 CD GLU A 40 -14.461 -17.132 0.906 1.00 1.86 C ATOM 618 OE1 GLU A 40 -15.000 -17.777 -0.014 1.00 2.08 O ATOM 619 OE2 GLU A 40 -14.688 -17.360 2.114 1.00 2.42 O ATOM 0 H GLU A 40 -9.638 -16.926 0.205 1.00 0.66 H new ATOM 0 HA GLU A 40 -11.434 -15.022 -0.922 1.00 0.64 H new ATOM 0 HB2 GLU A 40 -12.003 -17.345 -0.217 1.00 0.76 H new ATOM 0 HB3 GLU A 40 -11.764 -16.875 1.454 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -13.578 -15.226 1.283 1.00 1.44 H new ATOM 0 HG3 GLU A 40 -13.787 -15.600 -0.417 1.00 1.44 H new ATOM 626 N VAL A 41 -11.619 -13.171 0.693 1.00 0.53 N ATOM 627 CA VAL A 41 -11.514 -11.967 1.497 1.00 0.49 C ATOM 628 C VAL A 41 -12.495 -11.987 2.658 1.00 0.51 C ATOM 629 O VAL A 41 -13.618 -12.486 2.533 1.00 0.54 O ATOM 630 CB VAL A 41 -11.743 -10.694 0.656 1.00 0.53 C ATOM 631 CG1 VAL A 41 -10.459 -9.890 0.568 1.00 0.73 C ATOM 632 CG2 VAL A 41 -12.249 -11.044 -0.738 1.00 0.69 C ATOM 0 H VAL A 41 -12.183 -13.066 -0.151 1.00 0.53 H new ATOM 0 HA VAL A 41 -10.498 -11.946 1.890 1.00 0.49 H new ATOM 0 HB VAL A 41 -12.505 -10.090 1.148 1.00 0.53 H new ATOM 0 HG11 VAL A 41 -10.631 -8.994 -0.028 1.00 0.73 H new ATOM 0 HG12 VAL A 41 -10.139 -9.604 1.570 1.00 0.73 H new ATOM 0 HG13 VAL A 41 -9.683 -10.494 0.098 1.00 0.73 H new ATOM 0 HG21 VAL A 41 -12.402 -10.129 -1.310 1.00 0.69 H new ATOM 0 HG22 VAL A 41 -11.515 -11.670 -1.245 1.00 0.69 H new ATOM 0 HG23 VAL A 41 -13.193 -11.584 -0.658 1.00 0.69 H new ATOM 642 N PRO A 42 -12.048 -11.469 3.813 1.00 0.55 N ATOM 643 CA PRO A 42 -12.861 -11.365 5.025 1.00 0.62 C ATOM 644 C PRO A 42 -14.226 -10.731 4.767 1.00 0.63 C ATOM 645 O PRO A 42 -14.319 -9.589 4.313 1.00 0.64 O ATOM 646 CB PRO A 42 -12.023 -10.457 5.921 1.00 0.68 C ATOM 647 CG PRO A 42 -10.622 -10.690 5.494 1.00 0.65 C ATOM 648 CD PRO A 42 -10.682 -10.955 4.024 1.00 0.58 C ATOM 0 HA PRO A 42 -13.081 -12.343 5.452 1.00 0.62 H new ATOM 0 HB2 PRO A 42 -12.305 -9.411 5.798 1.00 0.68 H new ATOM 0 HB3 PRO A 42 -12.162 -10.703 6.974 1.00 0.68 H new ATOM 0 HG2 PRO A 42 -9.998 -9.822 5.710 1.00 0.65 H new ATOM 0 HG3 PRO A 42 -10.187 -11.536 6.026 1.00 0.65 H new ATOM 0 HD2 PRO A 42 -10.503 -10.048 3.447 1.00 0.58 H new ATOM 0 HD3 PRO A 42 -9.930 -11.682 3.718 1.00 0.58 H new ATOM 656 N GLU A 43 -15.277 -11.472 5.087 1.00 0.69 N ATOM 657 CA GLU A 43 -16.632 -11.042 4.835 1.00 0.75 C ATOM 658 C GLU A 43 -17.079 -9.989 5.841 1.00 0.81 C ATOM 659 O GLU A 43 -17.829 -9.073 5.499 1.00 0.83 O ATOM 660 CB GLU A 43 -17.556 -12.246 4.885 1.00 0.85 C ATOM 661 CG GLU A 43 -19.017 -11.894 4.725 1.00 1.21 C ATOM 662 CD GLU A 43 -19.913 -13.110 4.644 1.00 1.68 C ATOM 663 OE1 GLU A 43 -20.275 -13.661 5.703 1.00 2.28 O ATOM 664 OE2 GLU A 43 -20.259 -13.523 3.517 1.00 1.87 O ATOM 0 H GLU A 43 -15.207 -12.389 5.529 1.00 0.69 H new ATOM 0 HA GLU A 43 -16.674 -10.587 3.846 1.00 0.75 H new ATOM 0 HB2 GLU A 43 -17.271 -12.945 4.099 1.00 0.85 H new ATOM 0 HB3 GLU A 43 -17.417 -12.761 5.835 1.00 0.85 H new ATOM 0 HG2 GLU A 43 -19.330 -11.274 5.566 1.00 1.21 H new ATOM 0 HG3 GLU A 43 -19.144 -11.295 3.823 1.00 1.21 H new ATOM 671 N PHE A 44 -16.607 -10.102 7.079 1.00 0.86 N ATOM 672 CA PHE A 44 -17.012 -9.169 8.120 1.00 0.97 C ATOM 673 C PHE A 44 -16.509 -7.769 7.804 1.00 0.96 C ATOM 674 O PHE A 44 -17.088 -6.775 8.236 1.00 1.02 O ATOM 675 CB PHE A 44 -16.516 -9.605 9.496 1.00 1.11 C ATOM 676 CG PHE A 44 -17.003 -10.965 9.916 1.00 1.69 C ATOM 677 CD1 PHE A 44 -16.107 -11.943 10.317 1.00 2.33 C ATOM 678 CD2 PHE A 44 -18.355 -11.267 9.902 1.00 1.86 C ATOM 679 CE1 PHE A 44 -16.550 -13.193 10.701 1.00 3.18 C ATOM 680 CE2 PHE A 44 -18.805 -12.517 10.285 1.00 2.66 C ATOM 681 CZ PHE A 44 -17.905 -13.475 10.697 1.00 3.34 C ATOM 0 H PHE A 44 -15.951 -10.822 7.382 1.00 0.86 H new ATOM 0 HA PHE A 44 -18.102 -9.162 8.145 1.00 0.97 H new ATOM 0 HB2 PHE A 44 -15.426 -9.604 9.496 1.00 1.11 H new ATOM 0 HB3 PHE A 44 -16.835 -8.871 10.236 1.00 1.11 H new ATOM 0 HD1 PHE A 44 -15.049 -11.725 10.329 1.00 2.33 H new ATOM 0 HD2 PHE A 44 -19.066 -10.517 9.588 1.00 1.86 H new ATOM 0 HE1 PHE A 44 -15.841 -13.949 11.004 1.00 3.18 H new ATOM 0 HE2 PHE A 44 -19.861 -12.742 10.261 1.00 2.66 H new ATOM 0 HZ PHE A 44 -18.256 -14.445 11.017 1.00 3.34 H new ATOM 691 N LYS A 45 -15.439 -7.698 7.029 1.00 0.90 N ATOM 692 CA LYS A 45 -14.884 -6.424 6.603 1.00 0.93 C ATOM 693 C LYS A 45 -15.787 -5.753 5.570 1.00 0.89 C ATOM 694 O LYS A 45 -15.733 -4.540 5.381 1.00 0.98 O ATOM 695 CB LYS A 45 -13.476 -6.621 6.045 1.00 0.94 C ATOM 696 CG LYS A 45 -12.403 -6.693 7.125 1.00 1.07 C ATOM 697 CD LYS A 45 -12.633 -7.829 8.104 1.00 1.09 C ATOM 698 CE LYS A 45 -11.577 -7.842 9.197 1.00 1.27 C ATOM 699 NZ LYS A 45 -11.456 -6.525 9.875 1.00 1.94 N ATOM 0 H LYS A 45 -14.935 -8.513 6.680 1.00 0.90 H new ATOM 0 HA LYS A 45 -14.825 -5.767 7.471 1.00 0.93 H new ATOM 0 HB2 LYS A 45 -13.451 -7.538 5.457 1.00 0.94 H new ATOM 0 HB3 LYS A 45 -13.244 -5.800 5.366 1.00 0.94 H new ATOM 0 HG2 LYS A 45 -11.427 -6.816 6.655 1.00 1.07 H new ATOM 0 HG3 LYS A 45 -12.377 -5.749 7.670 1.00 1.07 H new ATOM 0 HD2 LYS A 45 -13.622 -7.730 8.552 1.00 1.09 H new ATOM 0 HD3 LYS A 45 -12.618 -8.779 7.571 1.00 1.09 H new ATOM 0 HE2 LYS A 45 -11.827 -8.606 9.933 1.00 1.27 H new ATOM 0 HE3 LYS A 45 -10.614 -8.117 8.767 1.00 1.27 H new ATOM 0 HZ1 LYS A 45 -10.954 -6.644 10.778 1.00 1.94 H new ATOM 0 HZ2 LYS A 45 -10.925 -5.869 9.267 1.00 1.94 H new ATOM 0 HZ3 LYS A 45 -12.405 -6.139 10.055 1.00 1.94 H new ATOM 713 N PHE A 46 -16.629 -6.545 4.918 1.00 0.79 N ATOM 714 CA PHE A 46 -17.589 -6.011 3.962 1.00 0.78 C ATOM 715 C PHE A 46 -18.819 -5.473 4.683 1.00 0.83 C ATOM 716 O PHE A 46 -19.374 -4.442 4.305 1.00 0.93 O ATOM 717 CB PHE A 46 -18.021 -7.083 2.957 1.00 0.74 C ATOM 718 CG PHE A 46 -16.945 -7.526 2.001 1.00 0.65 C ATOM 719 CD1 PHE A 46 -16.784 -8.869 1.697 1.00 0.72 C ATOM 720 CD2 PHE A 46 -16.104 -6.603 1.398 1.00 0.64 C ATOM 721 CE1 PHE A 46 -15.807 -9.282 0.811 1.00 0.66 C ATOM 722 CE2 PHE A 46 -15.124 -7.013 0.513 1.00 0.58 C ATOM 723 CZ PHE A 46 -14.976 -8.353 0.220 1.00 0.54 C ATOM 0 H PHE A 46 -16.666 -7.558 5.034 1.00 0.79 H new ATOM 0 HA PHE A 46 -17.100 -5.199 3.423 1.00 0.78 H new ATOM 0 HB2 PHE A 46 -18.379 -7.953 3.507 1.00 0.74 H new ATOM 0 HB3 PHE A 46 -18.864 -6.702 2.381 1.00 0.74 H new ATOM 0 HD1 PHE A 46 -17.430 -9.601 2.158 1.00 0.72 H new ATOM 0 HD2 PHE A 46 -16.216 -5.552 1.622 1.00 0.64 H new ATOM 0 HE1 PHE A 46 -15.694 -10.331 0.582 1.00 0.66 H new ATOM 0 HE2 PHE A 46 -14.474 -6.284 0.051 1.00 0.58 H new ATOM 0 HZ PHE A 46 -14.211 -8.674 -0.471 1.00 0.54 H new ATOM 733 N VAL A 47 -19.240 -6.177 5.725 1.00 0.81 N ATOM 734 CA VAL A 47 -20.446 -5.812 6.459 1.00 0.88 C ATOM 735 C VAL A 47 -20.171 -4.775 7.551 1.00 0.87 C ATOM 736 O VAL A 47 -20.815 -3.727 7.589 1.00 0.92 O ATOM 737 CB VAL A 47 -21.144 -7.054 7.065 1.00 0.97 C ATOM 738 CG1 VAL A 47 -20.182 -7.897 7.890 1.00 0.98 C ATOM 739 CG2 VAL A 47 -22.340 -6.629 7.898 1.00 1.07 C ATOM 0 H VAL A 47 -18.764 -7.005 6.082 1.00 0.81 H new ATOM 0 HA VAL A 47 -21.119 -5.358 5.731 1.00 0.88 H new ATOM 0 HB VAL A 47 -21.492 -7.677 6.241 1.00 0.97 H new ATOM 0 HG11 VAL A 47 -20.711 -8.759 8.298 1.00 0.98 H new ATOM 0 HG12 VAL A 47 -19.364 -8.240 7.257 1.00 0.98 H new ATOM 0 HG13 VAL A 47 -19.782 -7.297 8.707 1.00 0.98 H new ATOM 0 HG21 VAL A 47 -22.822 -7.511 8.319 1.00 1.07 H new ATOM 0 HG22 VAL A 47 -22.008 -5.977 8.706 1.00 1.07 H new ATOM 0 HG23 VAL A 47 -23.050 -6.093 7.268 1.00 1.07 H new ATOM 749 N ASN A 48 -19.199 -5.043 8.416 1.00 0.86 N ATOM 750 CA ASN A 48 -18.961 -4.192 9.578 1.00 0.90 C ATOM 751 C ASN A 48 -18.349 -2.860 9.170 1.00 0.82 C ATOM 752 O ASN A 48 -18.629 -1.827 9.776 1.00 0.91 O ATOM 753 CB ASN A 48 -18.054 -4.893 10.593 1.00 0.96 C ATOM 754 CG ASN A 48 -17.867 -4.078 11.859 1.00 1.07 C ATOM 755 OD1 ASN A 48 -16.942 -3.271 11.964 1.00 1.50 O ATOM 756 ND2 ASN A 48 -18.749 -4.279 12.827 1.00 1.66 N ATOM 0 H ASN A 48 -18.566 -5.838 8.336 1.00 0.86 H new ATOM 0 HA ASN A 48 -19.927 -4.000 10.044 1.00 0.90 H new ATOM 0 HB2 ASN A 48 -18.480 -5.863 10.848 1.00 0.96 H new ATOM 0 HB3 ASN A 48 -17.082 -5.082 10.138 1.00 0.96 H new ATOM 0 HD21 ASN A 48 -18.677 -3.756 13.700 1.00 1.66 H new ATOM 0 HD22 ASN A 48 -19.500 -4.957 12.700 1.00 1.66 H new ATOM 763 N ARG A 49 -17.504 -2.889 8.148 1.00 0.69 N ATOM 764 CA ARG A 49 -16.901 -1.671 7.621 1.00 0.63 C ATOM 765 C ARG A 49 -17.781 -1.044 6.554 1.00 0.58 C ATOM 766 O ARG A 49 -17.565 0.100 6.160 1.00 0.57 O ATOM 767 CB ARG A 49 -15.532 -1.957 7.021 1.00 0.59 C ATOM 768 CG ARG A 49 -14.417 -2.103 8.033 1.00 0.92 C ATOM 769 CD ARG A 49 -13.104 -2.435 7.344 1.00 1.01 C ATOM 770 NE ARG A 49 -11.973 -2.426 8.269 1.00 1.28 N ATOM 771 CZ ARG A 49 -10.726 -2.762 7.930 1.00 1.45 C ATOM 772 NH1 ARG A 49 -10.451 -3.148 6.688 1.00 1.66 N ATOM 773 NH2 ARG A 49 -9.758 -2.710 8.833 1.00 2.00 N ATOM 0 H ARG A 49 -17.220 -3.743 7.667 1.00 0.69 H new ATOM 0 HA ARG A 49 -16.795 -0.978 8.456 1.00 0.63 H new ATOM 0 HB2 ARG A 49 -15.592 -2.872 6.432 1.00 0.59 H new ATOM 0 HB3 ARG A 49 -15.276 -1.151 6.333 1.00 0.59 H new ATOM 0 HG2 ARG A 49 -14.312 -1.179 8.601 1.00 0.92 H new ATOM 0 HG3 ARG A 49 -14.667 -2.888 8.746 1.00 0.92 H new ATOM 0 HD2 ARG A 49 -13.180 -3.417 6.876 1.00 1.01 H new ATOM 0 HD3 ARG A 49 -12.923 -1.715 6.546 1.00 1.01 H new ATOM 0 HE ARG A 49 -12.147 -2.145 9.234 1.00 1.28 H new ATOM 0 HH11 ARG A 49 -11.194 -3.188 5.990 1.00 1.66 H new ATOM 0 HH12 ARG A 49 -9.497 -3.404 6.433 1.00 1.66 H new ATOM 0 HH21 ARG A 49 -9.966 -2.413 9.787 1.00 2.00 H new ATOM 0 HH22 ARG A 49 -8.805 -2.967 8.575 1.00 2.00 H new ATOM 787 N ASN A 50 -18.748 -1.827 6.066 1.00 0.60 N ATOM 788 CA ASN A 50 -19.594 -1.440 4.928 1.00 0.63 C ATOM 789 C ASN A 50 -18.769 -1.420 3.637 1.00 0.54 C ATOM 790 O ASN A 50 -19.296 -1.265 2.535 1.00 0.61 O ATOM 791 CB ASN A 50 -20.262 -0.076 5.174 1.00 0.71 C ATOM 792 CG ASN A 50 -21.224 0.325 4.069 1.00 1.46 C ATOM 793 OD1 ASN A 50 -20.843 0.993 3.107 1.00 2.26 O ATOM 794 ND2 ASN A 50 -22.479 -0.075 4.200 1.00 2.05 N ATOM 0 H ASN A 50 -18.968 -2.747 6.447 1.00 0.60 H new ATOM 0 HA ASN A 50 -20.386 -2.181 4.821 1.00 0.63 H new ATOM 0 HB2 ASN A 50 -20.800 -0.107 6.122 1.00 0.71 H new ATOM 0 HB3 ASN A 50 -19.490 0.688 5.270 1.00 0.71 H new ATOM 0 HD21 ASN A 50 -23.169 0.169 3.489 1.00 2.05 H new ATOM 0 HD22 ASN A 50 -22.756 -0.627 5.012 1.00 2.05 H new ATOM 801 N GLY A 51 -17.469 -1.626 3.785 1.00 0.46 N ATOM 802 CA GLY A 51 -16.565 -1.562 2.666 1.00 0.41 C ATOM 803 C GLY A 51 -15.669 -0.349 2.737 1.00 0.33 C ATOM 804 O GLY A 51 -14.671 -0.266 2.024 1.00 0.34 O ATOM 0 H GLY A 51 -17.023 -1.839 4.677 1.00 0.46 H new ATOM 0 HA2 GLY A 51 -15.954 -2.464 2.641 1.00 0.41 H new ATOM 0 HA3 GLY A 51 -17.136 -1.538 1.738 1.00 0.41 H new ATOM 808 N LYS A 52 -16.006 0.587 3.616 1.00 0.29 N ATOM 809 CA LYS A 52 -15.218 1.798 3.748 1.00 0.29 C ATOM 810 C LYS A 52 -14.358 1.762 5.007 1.00 0.30 C ATOM 811 O LYS A 52 -14.824 1.384 6.082 1.00 0.36 O ATOM 812 CB LYS A 52 -16.103 3.055 3.757 1.00 0.34 C ATOM 813 CG LYS A 52 -17.039 3.156 4.952 1.00 1.14 C ATOM 814 CD LYS A 52 -17.295 4.608 5.348 1.00 1.28 C ATOM 815 CE LYS A 52 -16.028 5.274 5.872 1.00 1.67 C ATOM 816 NZ LYS A 52 -16.280 6.657 6.360 1.00 2.43 N ATOM 0 H LYS A 52 -16.811 0.529 4.240 1.00 0.29 H new ATOM 0 HA LYS A 52 -14.565 1.846 2.877 1.00 0.29 H new ATOM 0 HB2 LYS A 52 -15.462 3.936 3.738 1.00 0.34 H new ATOM 0 HB3 LYS A 52 -16.697 3.073 2.843 1.00 0.34 H new ATOM 0 HG2 LYS A 52 -17.986 2.671 4.714 1.00 1.14 H new ATOM 0 HG3 LYS A 52 -16.609 2.619 5.797 1.00 1.14 H new ATOM 0 HD2 LYS A 52 -17.669 5.161 4.486 1.00 1.28 H new ATOM 0 HD3 LYS A 52 -18.071 4.647 6.113 1.00 1.28 H new ATOM 0 HE2 LYS A 52 -15.613 4.675 6.682 1.00 1.67 H new ATOM 0 HE3 LYS A 52 -15.280 5.301 5.080 1.00 1.67 H new ATOM 0 HZ1 LYS A 52 -15.457 6.989 6.902 1.00 2.43 H new ATOM 0 HZ2 LYS A 52 -16.438 7.288 5.549 1.00 2.43 H new ATOM 0 HZ3 LYS A 52 -17.122 6.662 6.971 1.00 2.43 H new ATOM 830 N ASN A 53 -13.097 2.133 4.860 1.00 0.30 N ATOM 831 CA ASN A 53 -12.209 2.298 6.000 1.00 0.34 C ATOM 832 C ASN A 53 -11.186 3.385 5.710 1.00 0.27 C ATOM 833 O ASN A 53 -10.421 3.294 4.747 1.00 0.24 O ATOM 834 CB ASN A 53 -11.499 0.984 6.348 1.00 0.43 C ATOM 835 CG ASN A 53 -10.536 1.132 7.517 1.00 1.14 C ATOM 836 OD1 ASN A 53 -9.350 1.405 7.332 1.00 1.72 O ATOM 837 ND2 ASN A 53 -11.041 0.960 8.729 1.00 2.05 N ATOM 0 H ASN A 53 -12.663 2.327 3.958 1.00 0.30 H new ATOM 0 HA ASN A 53 -12.812 2.591 6.859 1.00 0.34 H new ATOM 0 HB2 ASN A 53 -12.244 0.226 6.589 1.00 0.43 H new ATOM 0 HB3 ASN A 53 -10.953 0.628 5.475 1.00 0.43 H new ATOM 0 HD21 ASN A 53 -10.442 1.053 9.549 1.00 2.05 H new ATOM 0 HD22 ASN A 53 -12.029 0.735 8.842 1.00 2.05 H new ATOM 844 N GLU A 54 -11.190 4.419 6.532 1.00 0.30 N ATOM 845 CA GLU A 54 -10.243 5.509 6.392 1.00 0.28 C ATOM 846 C GLU A 54 -8.970 5.190 7.163 1.00 0.28 C ATOM 847 O GLU A 54 -8.990 4.980 8.378 1.00 0.40 O ATOM 848 CB GLU A 54 -10.873 6.817 6.867 1.00 0.33 C ATOM 849 CG GLU A 54 -11.993 7.294 5.953 1.00 0.35 C ATOM 850 CD GLU A 54 -12.929 8.275 6.629 1.00 0.87 C ATOM 851 OE1 GLU A 54 -13.977 7.832 7.153 1.00 1.15 O ATOM 852 OE2 GLU A 54 -12.626 9.486 6.639 1.00 1.47 O ATOM 0 H GLU A 54 -11.843 4.526 7.308 1.00 0.30 H new ATOM 0 HA GLU A 54 -9.980 5.629 5.341 1.00 0.28 H new ATOM 0 HB2 GLU A 54 -11.265 6.682 7.875 1.00 0.33 H new ATOM 0 HB3 GLU A 54 -10.103 7.587 6.924 1.00 0.33 H new ATOM 0 HG2 GLU A 54 -11.559 7.763 5.070 1.00 0.35 H new ATOM 0 HG3 GLU A 54 -12.565 6.433 5.608 1.00 0.35 H new ATOM 859 N LEU A 55 -7.871 5.145 6.431 1.00 0.21 N ATOM 860 CA LEU A 55 -6.588 4.706 6.960 1.00 0.22 C ATOM 861 C LEU A 55 -5.890 5.814 7.734 1.00 0.24 C ATOM 862 O LEU A 55 -5.652 5.697 8.934 1.00 0.32 O ATOM 863 CB LEU A 55 -5.695 4.258 5.802 1.00 0.21 C ATOM 864 CG LEU A 55 -6.020 2.894 5.200 1.00 0.20 C ATOM 865 CD1 LEU A 55 -5.248 2.708 3.904 1.00 0.45 C ATOM 866 CD2 LEU A 55 -5.690 1.778 6.183 1.00 0.54 C ATOM 0 H LEU A 55 -7.841 5.413 5.447 1.00 0.21 H new ATOM 0 HA LEU A 55 -6.769 3.879 7.646 1.00 0.22 H new ATOM 0 HB2 LEU A 55 -5.755 5.006 5.012 1.00 0.21 H new ATOM 0 HB3 LEU A 55 -4.662 4.244 6.150 1.00 0.21 H new ATOM 0 HG LEU A 55 -7.088 2.850 4.987 1.00 0.20 H new ATOM 0 HD11 LEU A 55 -5.483 1.733 3.477 1.00 0.45 H new ATOM 0 HD12 LEU A 55 -5.528 3.490 3.198 1.00 0.45 H new ATOM 0 HD13 LEU A 55 -4.179 2.768 4.106 1.00 0.45 H new ATOM 0 HD21 LEU A 55 -5.929 0.814 5.733 1.00 0.54 H new ATOM 0 HD22 LEU A 55 -4.628 1.811 6.427 1.00 0.54 H new ATOM 0 HD23 LEU A 55 -6.276 1.909 7.093 1.00 0.54 H new ATOM 878 N ILE A 56 -5.561 6.884 7.035 1.00 0.21 N ATOM 879 CA ILE A 56 -4.786 7.968 7.613 1.00 0.22 C ATOM 880 C ILE A 56 -5.211 9.289 6.976 1.00 0.22 C ATOM 881 O ILE A 56 -5.652 9.301 5.829 1.00 0.22 O ATOM 882 CB ILE A 56 -3.276 7.717 7.387 1.00 0.21 C ATOM 883 CG1 ILE A 56 -2.422 8.683 8.203 1.00 0.23 C ATOM 884 CG2 ILE A 56 -2.943 7.838 5.909 1.00 0.18 C ATOM 885 CD1 ILE A 56 -0.960 8.295 8.250 1.00 0.25 C ATOM 0 H ILE A 56 -5.820 7.027 6.059 1.00 0.21 H new ATOM 0 HA ILE A 56 -4.969 8.016 8.686 1.00 0.22 H new ATOM 0 HB ILE A 56 -3.048 6.706 7.724 1.00 0.21 H new ATOM 0 HG12 ILE A 56 -2.512 9.683 7.780 1.00 0.23 H new ATOM 0 HG13 ILE A 56 -2.811 8.731 9.220 1.00 0.23 H new ATOM 0 HG21 ILE A 56 -1.878 7.660 5.760 1.00 0.18 H new ATOM 0 HG22 ILE A 56 -3.516 7.102 5.345 1.00 0.18 H new ATOM 0 HG23 ILE A 56 -3.195 8.839 5.560 1.00 0.18 H new ATOM 0 HD11 ILE A 56 -0.409 9.023 8.846 1.00 0.25 H new ATOM 0 HD12 ILE A 56 -0.860 7.307 8.700 1.00 0.25 H new ATOM 0 HD13 ILE A 56 -0.556 8.275 7.238 1.00 0.25 H new ATOM 897 N ARG A 57 -5.095 10.392 7.704 1.00 0.26 N ATOM 898 CA ARG A 57 -5.593 11.666 7.204 1.00 0.27 C ATOM 899 C ARG A 57 -4.611 12.808 7.474 1.00 0.29 C ATOM 900 O ARG A 57 -3.610 12.624 8.167 1.00 0.34 O ATOM 901 CB ARG A 57 -6.969 11.970 7.815 1.00 0.37 C ATOM 902 CG ARG A 57 -6.941 12.361 9.286 1.00 0.49 C ATOM 903 CD ARG A 57 -7.073 13.865 9.453 1.00 0.88 C ATOM 904 NE ARG A 57 -6.983 14.285 10.849 1.00 1.34 N ATOM 905 CZ ARG A 57 -6.940 15.561 11.238 1.00 1.83 C ATOM 906 NH1 ARG A 57 -6.924 16.537 10.338 1.00 1.96 N ATOM 907 NH2 ARG A 57 -6.899 15.865 12.529 1.00 2.23 N ATOM 0 H ARG A 57 -4.667 10.431 8.629 1.00 0.26 H new ATOM 0 HA ARG A 57 -5.697 11.584 6.122 1.00 0.27 H new ATOM 0 HB2 ARG A 57 -7.433 12.777 7.248 1.00 0.37 H new ATOM 0 HB3 ARG A 57 -7.605 11.092 7.699 1.00 0.37 H new ATOM 0 HG2 ARG A 57 -7.752 11.860 9.814 1.00 0.49 H new ATOM 0 HG3 ARG A 57 -6.009 12.022 9.738 1.00 0.49 H new ATOM 0 HD2 ARG A 57 -6.292 14.361 8.877 1.00 0.88 H new ATOM 0 HD3 ARG A 57 -8.028 14.190 9.040 1.00 0.88 H new ATOM 0 HE ARG A 57 -6.951 13.562 11.568 1.00 1.34 H new ATOM 0 HH11 ARG A 57 -6.945 16.314 9.343 1.00 1.96 H new ATOM 0 HH12 ARG A 57 -6.891 17.510 10.642 1.00 1.96 H new ATOM 0 HH21 ARG A 57 -6.900 15.122 13.228 1.00 2.23 H new ATOM 0 HH22 ARG A 57 -6.866 16.841 12.822 1.00 2.23 H new ATOM 921 N ASN A 58 -4.921 13.975 6.900 1.00 0.30 N ATOM 922 CA ASN A 58 -4.125 15.194 7.048 1.00 0.33 C ATOM 923 C ASN A 58 -2.794 15.061 6.307 1.00 0.31 C ATOM 924 O ASN A 58 -1.732 15.407 6.820 1.00 0.33 O ATOM 925 CB ASN A 58 -3.904 15.516 8.528 1.00 0.39 C ATOM 926 CG ASN A 58 -3.288 16.883 8.769 1.00 0.46 C ATOM 927 OD1 ASN A 58 -3.672 17.864 7.962 1.00 1.01 O flip ATOM 928 ND2 ASN A 58 -2.502 17.062 9.700 1.00 1.40 N flip ATOM 0 H ASN A 58 -5.745 14.099 6.311 1.00 0.30 H new ATOM 0 HA ASN A 58 -4.675 16.023 6.603 1.00 0.33 H new ATOM 0 HB2 ASN A 58 -4.860 15.461 9.050 1.00 0.39 H new ATOM 0 HB3 ASN A 58 -3.258 14.754 8.964 1.00 0.39 H new ATOM 0 HD21 ASN A 58 -2.232 16.280 10.297 1.00 1.40 H new ATOM 0 HD22 ASN A 58 -2.121 17.992 9.874 1.00 1.40 H new ATOM 935 N LEU A 59 -2.872 14.567 5.078 1.00 0.28 N ATOM 936 CA LEU A 59 -1.687 14.325 4.269 1.00 0.27 C ATOM 937 C LEU A 59 -1.129 15.624 3.685 1.00 0.33 C ATOM 938 O LEU A 59 0.028 15.680 3.268 1.00 0.33 O ATOM 939 CB LEU A 59 -2.023 13.365 3.132 1.00 0.24 C ATOM 940 CG LEU A 59 -2.761 12.092 3.550 1.00 0.20 C ATOM 941 CD1 LEU A 59 -3.009 11.202 2.346 1.00 0.19 C ATOM 942 CD2 LEU A 59 -1.985 11.339 4.613 1.00 0.20 C ATOM 0 H LEU A 59 -3.750 14.325 4.618 1.00 0.28 H new ATOM 0 HA LEU A 59 -0.927 13.887 4.917 1.00 0.27 H new ATOM 0 HB2 LEU A 59 -2.632 13.894 2.399 1.00 0.24 H new ATOM 0 HB3 LEU A 59 -1.097 13.081 2.632 1.00 0.24 H new ATOM 0 HG LEU A 59 -3.723 12.382 3.973 1.00 0.20 H new ATOM 0 HD11 LEU A 59 -3.535 10.301 2.662 1.00 0.19 H new ATOM 0 HD12 LEU A 59 -3.615 11.738 1.616 1.00 0.19 H new ATOM 0 HD13 LEU A 59 -2.056 10.926 1.895 1.00 0.19 H new ATOM 0 HD21 LEU A 59 -2.531 10.438 4.893 1.00 0.20 H new ATOM 0 HD22 LEU A 59 -1.006 11.063 4.222 1.00 0.20 H new ATOM 0 HD23 LEU A 59 -1.859 11.974 5.490 1.00 0.20 H new ATOM 954 N GLN A 60 -1.963 16.658 3.631 1.00 0.40 N ATOM 955 CA GLN A 60 -1.557 17.941 3.058 1.00 0.49 C ATOM 956 C GLN A 60 -0.361 18.550 3.787 1.00 0.51 C ATOM 957 O GLN A 60 0.603 18.980 3.155 1.00 0.53 O ATOM 958 CB GLN A 60 -2.704 18.935 3.109 1.00 0.62 C ATOM 959 CG GLN A 60 -2.412 20.227 2.353 1.00 0.81 C ATOM 960 CD GLN A 60 -3.487 21.285 2.518 1.00 1.00 C ATOM 961 OE1 GLN A 60 -4.115 21.331 3.681 1.00 1.76 O flip ATOM 962 NE2 GLN A 60 -3.733 22.076 1.608 1.00 1.27 N flip ATOM 0 H GLN A 60 -2.923 16.635 3.976 1.00 0.40 H new ATOM 0 HA GLN A 60 -1.271 17.740 2.026 1.00 0.49 H new ATOM 0 HB2 GLN A 60 -3.597 18.471 2.691 1.00 0.62 H new ATOM 0 HB3 GLN A 60 -2.925 19.172 4.150 1.00 0.62 H new ATOM 0 HG2 GLN A 60 -1.460 20.632 2.697 1.00 0.81 H new ATOM 0 HG3 GLN A 60 -2.298 20.000 1.293 1.00 0.81 H new ATOM 0 HE21 GLN A 60 -3.228 22.010 0.724 1.00 1.27 H new ATOM 0 HE22 GLN A 60 -4.442 22.798 1.737 1.00 1.27 H new ATOM 971 N SER A 61 -0.419 18.575 5.112 1.00 0.53 N ATOM 972 CA SER A 61 0.618 19.226 5.898 1.00 0.60 C ATOM 973 C SER A 61 1.786 18.287 6.124 1.00 0.48 C ATOM 974 O SER A 61 2.917 18.716 6.362 1.00 0.56 O ATOM 975 CB SER A 61 0.051 19.695 7.237 1.00 0.79 C ATOM 976 OG SER A 61 -0.549 18.619 7.941 1.00 1.59 O ATOM 0 H SER A 61 -1.169 18.155 5.661 1.00 0.53 H new ATOM 0 HA SER A 61 0.976 20.094 5.344 1.00 0.60 H new ATOM 0 HB2 SER A 61 0.848 20.130 7.841 1.00 0.79 H new ATOM 0 HB3 SER A 61 -0.686 20.480 7.069 1.00 0.79 H new ATOM 0 HG SER A 61 0.147 18.087 8.381 1.00 1.59 H new ATOM 982 N ASP A 62 1.503 17.005 6.040 1.00 0.41 N ATOM 983 CA ASP A 62 2.506 15.986 6.299 1.00 0.41 C ATOM 984 C ASP A 62 2.466 14.922 5.220 1.00 0.36 C ATOM 985 O ASP A 62 1.661 13.992 5.277 1.00 0.33 O ATOM 986 CB ASP A 62 2.297 15.354 7.676 1.00 0.52 C ATOM 987 CG ASP A 62 2.608 16.304 8.812 1.00 1.18 C ATOM 988 OD1 ASP A 62 3.708 16.189 9.403 1.00 1.92 O ATOM 989 OD2 ASP A 62 1.765 17.176 9.118 1.00 1.41 O ATOM 0 H ASP A 62 0.583 16.639 5.793 1.00 0.41 H new ATOM 0 HA ASP A 62 3.487 16.462 6.287 1.00 0.41 H new ATOM 0 HB2 ASP A 62 1.264 15.017 7.763 1.00 0.52 H new ATOM 0 HB3 ASP A 62 2.929 14.470 7.765 1.00 0.52 H new ATOM 994 N LYS A 63 3.340 15.074 4.237 1.00 0.39 N ATOM 995 CA LYS A 63 3.393 14.164 3.102 1.00 0.40 C ATOM 996 C LYS A 63 3.657 12.739 3.535 1.00 0.33 C ATOM 997 O LYS A 63 3.057 11.801 3.012 1.00 0.30 O ATOM 998 CB LYS A 63 4.481 14.586 2.130 1.00 0.52 C ATOM 999 CG LYS A 63 4.145 15.840 1.367 1.00 1.06 C ATOM 1000 CD LYS A 63 5.168 16.109 0.282 1.00 1.18 C ATOM 1001 CE LYS A 63 4.505 16.678 -0.956 1.00 1.00 C ATOM 1002 NZ LYS A 63 3.759 17.933 -0.665 1.00 1.68 N ATOM 0 H LYS A 63 4.028 15.826 4.203 1.00 0.39 H new ATOM 0 HA LYS A 63 2.418 14.209 2.616 1.00 0.40 H new ATOM 0 HB2 LYS A 63 5.409 14.741 2.680 1.00 0.52 H new ATOM 0 HB3 LYS A 63 4.661 13.776 1.423 1.00 0.52 H new ATOM 0 HG2 LYS A 63 3.155 15.744 0.922 1.00 1.06 H new ATOM 0 HG3 LYS A 63 4.106 16.687 2.052 1.00 1.06 H new ATOM 0 HD2 LYS A 63 5.920 16.807 0.650 1.00 1.18 H new ATOM 0 HD3 LYS A 63 5.688 15.185 0.029 1.00 1.18 H new ATOM 0 HE2 LYS A 63 5.263 16.875 -1.715 1.00 1.00 H new ATOM 0 HE3 LYS A 63 3.821 15.939 -1.373 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 3.466 18.377 -1.558 1.00 1.68 H new ATOM 0 HZ2 LYS A 63 2.917 17.712 -0.095 1.00 1.68 H new ATOM 0 HZ3 LYS A 63 4.372 18.587 -0.138 1.00 1.68 H new ATOM 1016 N LYS A 64 4.551 12.585 4.495 1.00 0.34 N ATOM 1017 CA LYS A 64 5.011 11.268 4.913 1.00 0.33 C ATOM 1018 C LYS A 64 3.872 10.409 5.456 1.00 0.27 C ATOM 1019 O LYS A 64 3.982 9.183 5.504 1.00 0.27 O ATOM 1020 CB LYS A 64 6.114 11.391 5.960 1.00 0.40 C ATOM 1021 CG LYS A 64 7.390 12.037 5.436 1.00 0.42 C ATOM 1022 CD LYS A 64 7.914 11.317 4.204 1.00 0.38 C ATOM 1023 CE LYS A 64 9.250 11.879 3.746 1.00 0.51 C ATOM 1024 NZ LYS A 64 10.326 11.639 4.742 1.00 1.07 N ATOM 0 H LYS A 64 4.977 13.360 5.004 1.00 0.34 H new ATOM 0 HA LYS A 64 5.409 10.773 4.027 1.00 0.33 H new ATOM 0 HB2 LYS A 64 5.741 11.976 6.801 1.00 0.40 H new ATOM 0 HB3 LYS A 64 6.351 10.398 6.343 1.00 0.40 H new ATOM 0 HG2 LYS A 64 7.197 13.082 5.193 1.00 0.42 H new ATOM 0 HG3 LYS A 64 8.151 12.026 6.216 1.00 0.42 H new ATOM 0 HD2 LYS A 64 8.023 10.255 4.423 1.00 0.38 H new ATOM 0 HD3 LYS A 64 7.187 11.403 3.396 1.00 0.38 H new ATOM 0 HE2 LYS A 64 9.528 11.424 2.795 1.00 0.51 H new ATOM 0 HE3 LYS A 64 9.151 12.950 3.570 1.00 0.51 H new ATOM 0 HZ1 LYS A 64 11.250 11.850 4.313 1.00 1.07 H new ATOM 0 HZ2 LYS A 64 10.179 12.254 5.567 1.00 1.07 H new ATOM 0 HZ3 LYS A 64 10.304 10.644 5.044 1.00 1.07 H new ATOM 1038 N LEU A 65 2.788 11.049 5.864 1.00 0.25 N ATOM 1039 CA LEU A 65 1.606 10.338 6.313 1.00 0.21 C ATOM 1040 C LEU A 65 1.019 9.492 5.182 1.00 0.17 C ATOM 1041 O LEU A 65 0.532 8.387 5.412 1.00 0.18 O ATOM 1042 CB LEU A 65 0.566 11.327 6.838 1.00 0.24 C ATOM 1043 CG LEU A 65 1.005 12.168 8.038 1.00 0.28 C ATOM 1044 CD1 LEU A 65 -0.155 13.001 8.557 1.00 0.34 C ATOM 1045 CD2 LEU A 65 1.569 11.287 9.142 1.00 0.31 C ATOM 0 H LEU A 65 2.704 12.065 5.893 1.00 0.25 H new ATOM 0 HA LEU A 65 1.892 9.667 7.123 1.00 0.21 H new ATOM 0 HB2 LEU A 65 0.288 12.000 6.027 1.00 0.24 H new ATOM 0 HB3 LEU A 65 -0.331 10.772 7.114 1.00 0.24 H new ATOM 0 HG LEU A 65 1.795 12.843 7.709 1.00 0.28 H new ATOM 0 HD11 LEU A 65 0.175 13.593 9.411 1.00 0.34 H new ATOM 0 HD12 LEU A 65 -0.507 13.666 7.768 1.00 0.34 H new ATOM 0 HD13 LEU A 65 -0.967 12.342 8.865 1.00 0.34 H new ATOM 0 HD21 LEU A 65 1.874 11.909 9.984 1.00 0.31 H new ATOM 0 HD22 LEU A 65 0.806 10.581 9.470 1.00 0.31 H new ATOM 0 HD23 LEU A 65 2.432 10.739 8.765 1.00 0.31 H new ATOM 1057 N PHE A 66 1.077 10.010 3.956 1.00 0.15 N ATOM 1058 CA PHE A 66 0.631 9.256 2.791 1.00 0.13 C ATOM 1059 C PHE A 66 1.513 8.030 2.602 1.00 0.14 C ATOM 1060 O PHE A 66 1.030 6.956 2.259 1.00 0.15 O ATOM 1061 CB PHE A 66 0.665 10.139 1.531 1.00 0.14 C ATOM 1062 CG PHE A 66 0.328 9.419 0.244 1.00 0.14 C ATOM 1063 CD1 PHE A 66 -0.666 8.458 0.201 1.00 0.13 C ATOM 1064 CD2 PHE A 66 1.011 9.712 -0.924 1.00 0.20 C ATOM 1065 CE1 PHE A 66 -0.974 7.801 -0.976 1.00 0.15 C ATOM 1066 CE2 PHE A 66 0.708 9.063 -2.106 1.00 0.24 C ATOM 1067 CZ PHE A 66 -0.285 8.106 -2.132 1.00 0.21 C ATOM 0 H PHE A 66 1.427 10.945 3.747 1.00 0.15 H new ATOM 0 HA PHE A 66 -0.397 8.933 2.954 1.00 0.13 H new ATOM 0 HB2 PHE A 66 -0.035 10.964 1.663 1.00 0.14 H new ATOM 0 HB3 PHE A 66 1.659 10.576 1.437 1.00 0.14 H new ATOM 0 HD1 PHE A 66 -1.211 8.217 1.102 1.00 0.13 H new ATOM 0 HD2 PHE A 66 1.792 10.458 -0.911 1.00 0.20 H new ATOM 0 HE1 PHE A 66 -1.751 7.051 -0.991 1.00 0.15 H new ATOM 0 HE2 PHE A 66 1.249 9.305 -3.009 1.00 0.24 H new ATOM 0 HZ PHE A 66 -0.523 7.597 -3.054 1.00 0.21 H new ATOM 1077 N TYR A 67 2.801 8.194 2.876 1.00 0.16 N ATOM 1078 CA TYR A 67 3.770 7.128 2.662 1.00 0.18 C ATOM 1079 C TYR A 67 3.423 5.929 3.534 1.00 0.16 C ATOM 1080 O TYR A 67 3.251 4.810 3.049 1.00 0.18 O ATOM 1081 CB TYR A 67 5.196 7.578 3.001 1.00 0.22 C ATOM 1082 CG TYR A 67 5.748 8.710 2.164 1.00 0.26 C ATOM 1083 CD1 TYR A 67 4.970 9.802 1.826 1.00 0.25 C ATOM 1084 CD2 TYR A 67 7.073 8.699 1.755 1.00 0.33 C ATOM 1085 CE1 TYR A 67 5.488 10.855 1.106 1.00 0.29 C ATOM 1086 CE2 TYR A 67 7.599 9.743 1.025 1.00 0.37 C ATOM 1087 CZ TYR A 67 6.804 10.822 0.704 1.00 0.35 C ATOM 1088 OH TYR A 67 7.329 11.871 -0.017 1.00 0.40 O ATOM 0 H TYR A 67 3.199 9.057 3.247 1.00 0.16 H new ATOM 0 HA TYR A 67 3.729 6.861 1.606 1.00 0.18 H new ATOM 0 HB2 TYR A 67 5.222 7.880 4.048 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.861 6.720 2.900 1.00 0.22 H new ATOM 0 HD1 TYR A 67 3.935 9.829 2.133 1.00 0.25 H new ATOM 0 HD2 TYR A 67 7.702 7.860 2.012 1.00 0.33 H new ATOM 0 HE1 TYR A 67 4.865 11.702 0.858 1.00 0.29 H new ATOM 0 HE2 TYR A 67 8.630 9.716 0.706 1.00 0.37 H new ATOM 0 HH TYR A 67 8.286 11.955 0.177 1.00 0.40 H new ATOM 1098 N SER A 68 3.333 6.176 4.833 1.00 0.15 N ATOM 1099 CA SER A 68 3.031 5.134 5.789 1.00 0.18 C ATOM 1100 C SER A 68 1.582 4.673 5.668 1.00 0.17 C ATOM 1101 O SER A 68 1.267 3.520 5.959 1.00 0.20 O ATOM 1102 CB SER A 68 3.328 5.626 7.203 1.00 0.26 C ATOM 1103 OG SER A 68 2.769 6.913 7.417 1.00 1.22 O ATOM 0 H SER A 68 3.467 7.099 5.246 1.00 0.15 H new ATOM 0 HA SER A 68 3.665 4.274 5.573 1.00 0.18 H new ATOM 0 HB2 SER A 68 2.922 4.923 7.930 1.00 0.26 H new ATOM 0 HB3 SER A 68 4.406 5.662 7.361 1.00 0.26 H new ATOM 0 HG SER A 68 2.969 7.209 8.329 1.00 1.22 H new ATOM 1109 N GLY A 69 0.698 5.576 5.244 1.00 0.16 N ATOM 1110 CA GLY A 69 -0.670 5.190 4.960 1.00 0.17 C ATOM 1111 C GLY A 69 -0.724 4.124 3.886 1.00 0.16 C ATOM 1112 O GLY A 69 -1.541 3.206 3.949 1.00 0.17 O ATOM 0 H GLY A 69 0.907 6.563 5.094 1.00 0.16 H new ATOM 0 HA2 GLY A 69 -1.143 4.819 5.869 1.00 0.17 H new ATOM 0 HA3 GLY A 69 -1.238 6.063 4.639 1.00 0.17 H new ATOM 1116 N ILE A 70 0.155 4.258 2.897 1.00 0.15 N ATOM 1117 CA ILE A 70 0.347 3.231 1.891 1.00 0.16 C ATOM 1118 C ILE A 70 0.739 1.914 2.550 1.00 0.16 C ATOM 1119 O ILE A 70 0.201 0.863 2.223 1.00 0.17 O ATOM 1120 CB ILE A 70 1.451 3.637 0.898 1.00 0.16 C ATOM 1121 CG1 ILE A 70 1.021 4.867 0.098 1.00 0.16 C ATOM 1122 CG2 ILE A 70 1.783 2.479 -0.025 1.00 0.17 C ATOM 1123 CD1 ILE A 70 2.111 5.428 -0.791 1.00 0.18 C ATOM 0 H ILE A 70 0.749 5.078 2.775 1.00 0.15 H new ATOM 0 HA ILE A 70 -0.594 3.111 1.354 1.00 0.16 H new ATOM 0 HB ILE A 70 2.350 3.893 1.459 1.00 0.16 H new ATOM 0 HG12 ILE A 70 0.161 4.606 -0.518 1.00 0.16 H new ATOM 0 HG13 ILE A 70 0.694 5.643 0.790 1.00 0.16 H new ATOM 0 HG21 ILE A 70 2.565 2.781 -0.721 1.00 0.17 H new ATOM 0 HG22 ILE A 70 2.131 1.631 0.565 1.00 0.17 H new ATOM 0 HG23 ILE A 70 0.892 2.191 -0.583 1.00 0.17 H new ATOM 0 HD11 ILE A 70 1.732 6.298 -1.327 1.00 0.18 H new ATOM 0 HD12 ILE A 70 2.964 5.722 -0.179 1.00 0.18 H new ATOM 0 HD13 ILE A 70 2.423 4.668 -1.508 1.00 0.18 H new ATOM 1135 N CYS A 71 1.671 1.990 3.491 1.00 0.17 N ATOM 1136 CA CYS A 71 2.139 0.809 4.202 1.00 0.18 C ATOM 1137 C CYS A 71 0.995 0.152 4.967 1.00 0.17 C ATOM 1138 O CYS A 71 0.890 -1.070 5.006 1.00 0.17 O ATOM 1139 CB CYS A 71 3.278 1.182 5.150 1.00 0.21 C ATOM 1140 SG CYS A 71 4.680 1.963 4.329 1.00 1.10 S ATOM 0 H CYS A 71 2.118 2.860 3.780 1.00 0.17 H new ATOM 0 HA CYS A 71 2.514 0.091 3.473 1.00 0.18 H new ATOM 0 HB2 CYS A 71 2.895 1.857 5.916 1.00 0.21 H new ATOM 0 HB3 CYS A 71 3.623 0.283 5.661 1.00 0.21 H new ATOM 0 HG CYS A 71 4.268 2.996 3.656 1.00 1.10 H new ATOM 1146 N GLN A 72 0.125 0.971 5.552 1.00 0.18 N ATOM 1147 CA GLN A 72 -1.058 0.463 6.240 1.00 0.19 C ATOM 1148 C GLN A 72 -2.006 -0.202 5.247 1.00 0.17 C ATOM 1149 O GLN A 72 -2.750 -1.120 5.590 1.00 0.20 O ATOM 1150 CB GLN A 72 -1.786 1.589 6.974 1.00 0.22 C ATOM 1151 CG GLN A 72 -0.952 2.272 8.051 1.00 0.28 C ATOM 1152 CD GLN A 72 -0.561 1.345 9.193 1.00 1.02 C ATOM 1153 OE1 GLN A 72 -0.378 0.144 9.009 1.00 1.82 O ATOM 1154 NE2 GLN A 72 -0.428 1.898 10.388 1.00 1.56 N ATOM 0 H GLN A 72 0.217 1.987 5.563 1.00 0.18 H new ATOM 0 HA GLN A 72 -0.731 -0.276 6.971 1.00 0.19 H new ATOM 0 HB2 GLN A 72 -2.103 2.337 6.247 1.00 0.22 H new ATOM 0 HB3 GLN A 72 -2.690 1.185 7.431 1.00 0.22 H new ATOM 0 HG2 GLN A 72 -0.048 2.678 7.597 1.00 0.28 H new ATOM 0 HG3 GLN A 72 -1.513 3.116 8.454 1.00 0.28 H new ATOM 0 HE21 GLN A 72 -0.587 2.898 10.508 1.00 1.56 H new ATOM 0 HE22 GLN A 72 -0.166 1.324 11.189 1.00 1.56 H new ATOM 1163 N PHE A 73 -1.964 0.272 4.011 1.00 0.16 N ATOM 1164 CA PHE A 73 -2.771 -0.291 2.943 1.00 0.15 C ATOM 1165 C PHE A 73 -2.215 -1.649 2.513 1.00 0.15 C ATOM 1166 O PHE A 73 -2.962 -2.620 2.377 1.00 0.15 O ATOM 1167 CB PHE A 73 -2.818 0.679 1.760 1.00 0.14 C ATOM 1168 CG PHE A 73 -3.563 0.161 0.561 1.00 0.14 C ATOM 1169 CD1 PHE A 73 -2.879 -0.203 -0.585 1.00 0.19 C ATOM 1170 CD2 PHE A 73 -4.941 0.047 0.578 1.00 0.17 C ATOM 1171 CE1 PHE A 73 -3.557 -0.671 -1.694 1.00 0.20 C ATOM 1172 CE2 PHE A 73 -5.624 -0.421 -0.528 1.00 0.17 C ATOM 1173 CZ PHE A 73 -4.932 -0.780 -1.665 1.00 0.15 C ATOM 0 H PHE A 73 -1.374 1.052 3.723 1.00 0.16 H new ATOM 0 HA PHE A 73 -3.787 -0.443 3.307 1.00 0.15 H new ATOM 0 HB2 PHE A 73 -3.282 1.609 2.087 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -1.797 0.920 1.462 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -1.803 -0.120 -0.613 1.00 0.19 H new ATOM 0 HD2 PHE A 73 -5.489 0.327 1.465 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -3.011 -0.951 -2.583 1.00 0.20 H new ATOM 0 HE2 PHE A 73 -6.700 -0.506 -0.502 1.00 0.17 H new ATOM 0 HZ PHE A 73 -5.465 -1.145 -2.530 1.00 0.15 H new ATOM 1183 N VAL A 74 -0.898 -1.719 2.310 1.00 0.17 N ATOM 1184 CA VAL A 74 -0.256 -2.981 1.939 1.00 0.19 C ATOM 1185 C VAL A 74 -0.329 -3.953 3.107 1.00 0.19 C ATOM 1186 O VAL A 74 -0.311 -5.172 2.923 1.00 0.21 O ATOM 1187 CB VAL A 74 1.225 -2.807 1.505 1.00 0.22 C ATOM 1188 CG1 VAL A 74 1.436 -1.470 0.826 1.00 0.28 C ATOM 1189 CG2 VAL A 74 2.200 -2.972 2.667 1.00 0.24 C ATOM 0 H VAL A 74 -0.262 -0.926 2.395 1.00 0.17 H new ATOM 0 HA VAL A 74 -0.798 -3.370 1.077 1.00 0.19 H new ATOM 0 HB VAL A 74 1.436 -3.604 0.792 1.00 0.22 H new ATOM 0 HG11 VAL A 74 2.481 -1.372 0.532 1.00 0.28 H new ATOM 0 HG12 VAL A 74 0.802 -1.407 -0.059 1.00 0.28 H new ATOM 0 HG13 VAL A 74 1.177 -0.667 1.516 1.00 0.28 H new ATOM 0 HG21 VAL A 74 3.220 -2.840 2.307 1.00 0.24 H new ATOM 0 HG22 VAL A 74 1.985 -2.225 3.431 1.00 0.24 H new ATOM 0 HG23 VAL A 74 2.092 -3.969 3.094 1.00 0.24 H new ATOM 1199 N LYS A 75 -0.404 -3.394 4.310 1.00 0.20 N ATOM 1200 CA LYS A 75 -0.589 -4.177 5.518 1.00 0.23 C ATOM 1201 C LYS A 75 -1.801 -5.079 5.385 1.00 0.24 C ATOM 1202 O LYS A 75 -1.733 -6.265 5.689 1.00 0.31 O ATOM 1203 CB LYS A 75 -0.746 -3.263 6.738 1.00 0.25 C ATOM 1204 CG LYS A 75 -1.447 -3.930 7.906 1.00 0.38 C ATOM 1205 CD LYS A 75 -1.539 -3.017 9.115 1.00 0.58 C ATOM 1206 CE LYS A 75 -2.391 -3.644 10.208 1.00 1.08 C ATOM 1207 NZ LYS A 75 -2.014 -5.060 10.465 1.00 1.85 N ATOM 0 H LYS A 75 -0.338 -2.389 4.471 1.00 0.20 H new ATOM 0 HA LYS A 75 0.297 -4.796 5.660 1.00 0.23 H new ATOM 0 HB2 LYS A 75 0.240 -2.927 7.060 1.00 0.25 H new ATOM 0 HB3 LYS A 75 -1.307 -2.375 6.447 1.00 0.25 H new ATOM 0 HG2 LYS A 75 -2.450 -4.231 7.602 1.00 0.38 H new ATOM 0 HG3 LYS A 75 -0.911 -4.839 8.179 1.00 0.38 H new ATOM 0 HD2 LYS A 75 -0.539 -2.815 9.499 1.00 0.58 H new ATOM 0 HD3 LYS A 75 -1.967 -2.059 8.820 1.00 0.58 H new ATOM 0 HE2 LYS A 75 -2.284 -3.068 11.127 1.00 1.08 H new ATOM 0 HE3 LYS A 75 -3.442 -3.595 9.922 1.00 1.08 H new ATOM 0 HZ1 LYS A 75 -2.370 -5.350 11.398 1.00 1.85 H new ATOM 0 HZ2 LYS A 75 -2.430 -5.669 9.731 1.00 1.85 H new ATOM 0 HZ3 LYS A 75 -0.978 -5.153 10.446 1.00 1.85 H new ATOM 1221 N GLU A 76 -2.896 -4.513 4.905 1.00 0.21 N ATOM 1222 CA GLU A 76 -4.125 -5.265 4.740 1.00 0.24 C ATOM 1223 C GLU A 76 -3.918 -6.368 3.707 1.00 0.24 C ATOM 1224 O GLU A 76 -4.293 -7.513 3.925 1.00 0.29 O ATOM 1225 CB GLU A 76 -5.259 -4.339 4.312 1.00 0.28 C ATOM 1226 CG GLU A 76 -6.618 -5.012 4.326 1.00 1.05 C ATOM 1227 CD GLU A 76 -7.193 -5.152 5.716 1.00 1.02 C ATOM 1228 OE1 GLU A 76 -8.119 -4.395 6.063 1.00 0.89 O ATOM 1229 OE2 GLU A 76 -6.712 -6.026 6.475 1.00 1.31 O ATOM 0 H GLU A 76 -2.957 -3.535 4.623 1.00 0.21 H new ATOM 0 HA GLU A 76 -4.396 -5.719 5.693 1.00 0.24 H new ATOM 0 HB2 GLU A 76 -5.282 -3.474 4.975 1.00 0.28 H new ATOM 0 HB3 GLU A 76 -5.056 -3.966 3.308 1.00 0.28 H new ATOM 0 HG2 GLU A 76 -7.309 -4.437 3.709 1.00 1.05 H new ATOM 0 HG3 GLU A 76 -6.533 -6.000 3.873 1.00 1.05 H new ATOM 1236 N ALA A 77 -3.291 -6.015 2.591 1.00 0.21 N ATOM 1237 CA ALA A 77 -2.968 -6.980 1.548 1.00 0.22 C ATOM 1238 C ALA A 77 -2.148 -8.146 2.098 1.00 0.22 C ATOM 1239 O ALA A 77 -2.358 -9.297 1.724 1.00 0.24 O ATOM 1240 CB ALA A 77 -2.214 -6.295 0.422 1.00 0.24 C ATOM 0 H ALA A 77 -2.995 -5.061 2.385 1.00 0.21 H new ATOM 0 HA ALA A 77 -3.904 -7.384 1.163 1.00 0.22 H new ATOM 0 HB1 ALA A 77 -1.977 -7.024 -0.353 1.00 0.24 H new ATOM 0 HB2 ALA A 77 -2.832 -5.503 -0.001 1.00 0.24 H new ATOM 0 HB3 ALA A 77 -1.291 -5.865 0.811 1.00 0.24 H new ATOM 1246 N LYS A 78 -1.219 -7.845 2.987 1.00 0.24 N ATOM 1247 CA LYS A 78 -0.366 -8.864 3.585 1.00 0.30 C ATOM 1248 C LYS A 78 -1.101 -9.570 4.719 1.00 0.31 C ATOM 1249 O LYS A 78 -0.753 -10.681 5.114 1.00 0.37 O ATOM 1250 CB LYS A 78 0.945 -8.214 4.046 1.00 0.42 C ATOM 1251 CG LYS A 78 1.022 -7.804 5.510 1.00 0.84 C ATOM 1252 CD LYS A 78 2.242 -6.917 5.752 1.00 0.72 C ATOM 1253 CE LYS A 78 2.770 -7.032 7.171 1.00 1.08 C ATOM 1254 NZ LYS A 78 1.736 -6.724 8.196 1.00 1.88 N ATOM 0 H LYS A 78 -1.033 -6.897 3.315 1.00 0.24 H new ATOM 0 HA LYS A 78 -0.119 -9.630 2.850 1.00 0.30 H new ATOM 0 HB2 LYS A 78 1.760 -8.909 3.843 1.00 0.42 H new ATOM 0 HB3 LYS A 78 1.121 -7.329 3.434 1.00 0.42 H new ATOM 0 HG2 LYS A 78 0.115 -7.270 5.793 1.00 0.84 H new ATOM 0 HG3 LYS A 78 1.079 -8.692 6.140 1.00 0.84 H new ATOM 0 HD2 LYS A 78 3.031 -7.190 5.051 1.00 0.72 H new ATOM 0 HD3 LYS A 78 1.979 -5.879 5.548 1.00 0.72 H new ATOM 0 HE2 LYS A 78 3.147 -8.042 7.333 1.00 1.08 H new ATOM 0 HE3 LYS A 78 3.613 -6.353 7.296 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 2.185 -6.651 9.131 1.00 1.88 H new ATOM 0 HZ2 LYS A 78 1.274 -5.822 7.963 1.00 1.88 H new ATOM 0 HZ3 LYS A 78 1.026 -7.483 8.212 1.00 1.88 H new ATOM 1268 N ASP A 79 -2.129 -8.914 5.227 1.00 0.31 N ATOM 1269 CA ASP A 79 -2.969 -9.483 6.270 1.00 0.36 C ATOM 1270 C ASP A 79 -3.933 -10.524 5.712 1.00 0.34 C ATOM 1271 O ASP A 79 -4.065 -11.612 6.270 1.00 0.38 O ATOM 1272 CB ASP A 79 -3.740 -8.391 7.008 1.00 0.41 C ATOM 1273 CG ASP A 79 -3.019 -7.915 8.258 1.00 1.12 C ATOM 1274 OD1 ASP A 79 -2.894 -6.682 8.444 1.00 1.77 O ATOM 1275 OD2 ASP A 79 -2.557 -8.759 9.053 1.00 1.60 O ATOM 0 H ASP A 79 -2.405 -7.978 4.932 1.00 0.31 H new ATOM 0 HA ASP A 79 -2.308 -9.983 6.978 1.00 0.36 H new ATOM 0 HB2 ASP A 79 -3.897 -7.545 6.338 1.00 0.41 H new ATOM 0 HB3 ASP A 79 -4.725 -8.768 7.282 1.00 0.41 H new ATOM 1280 N ILE A 80 -4.596 -10.205 4.604 1.00 0.30 N ATOM 1281 CA ILE A 80 -5.562 -11.133 4.009 1.00 0.32 C ATOM 1282 C ILE A 80 -4.849 -12.097 3.069 1.00 0.30 C ATOM 1283 O ILE A 80 -5.409 -13.105 2.633 1.00 0.33 O ATOM 1284 CB ILE A 80 -6.722 -10.397 3.273 1.00 0.32 C ATOM 1285 CG1 ILE A 80 -6.554 -10.389 1.739 1.00 0.29 C ATOM 1286 CG2 ILE A 80 -6.843 -8.975 3.794 1.00 0.33 C ATOM 1287 CD1 ILE A 80 -5.466 -9.474 1.220 1.00 0.22 C ATOM 0 H ILE A 80 -4.487 -9.323 4.103 1.00 0.30 H new ATOM 0 HA ILE A 80 -6.018 -11.696 4.823 1.00 0.32 H new ATOM 0 HB ILE A 80 -7.636 -10.951 3.484 1.00 0.32 H new ATOM 0 HG12 ILE A 80 -6.343 -11.405 1.406 1.00 0.29 H new ATOM 0 HG13 ILE A 80 -7.501 -10.096 1.286 1.00 0.29 H new ATOM 0 HG21 ILE A 80 -7.655 -8.466 3.276 1.00 0.33 H new ATOM 0 HG22 ILE A 80 -7.052 -8.996 4.864 1.00 0.33 H new ATOM 0 HG23 ILE A 80 -5.909 -8.442 3.617 1.00 0.33 H new ATOM 0 HD11 ILE A 80 -5.425 -9.538 0.133 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -5.682 -8.447 1.516 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -4.506 -9.777 1.637 1.00 0.22 H new ATOM 1299 N LYS A 81 -3.596 -11.748 2.787 1.00 0.27 N ATOM 1300 CA LYS A 81 -2.690 -12.550 1.966 1.00 0.29 C ATOM 1301 C LYS A 81 -3.035 -12.443 0.486 1.00 0.29 C ATOM 1302 O LYS A 81 -3.264 -13.441 -0.201 1.00 0.39 O ATOM 1303 CB LYS A 81 -2.661 -14.014 2.420 1.00 0.36 C ATOM 1304 CG LYS A 81 -2.226 -14.198 3.866 1.00 0.39 C ATOM 1305 CD LYS A 81 -0.826 -13.659 4.109 1.00 0.40 C ATOM 1306 CE LYS A 81 -0.387 -13.862 5.553 1.00 0.53 C ATOM 1307 NZ LYS A 81 -1.223 -13.083 6.506 1.00 1.47 N ATOM 0 H LYS A 81 -3.174 -10.885 3.128 1.00 0.27 H new ATOM 0 HA LYS A 81 -1.688 -12.143 2.104 1.00 0.29 H new ATOM 0 HB2 LYS A 81 -3.654 -14.445 2.291 1.00 0.36 H new ATOM 0 HB3 LYS A 81 -1.985 -14.572 1.773 1.00 0.36 H new ATOM 0 HG2 LYS A 81 -2.930 -13.690 4.525 1.00 0.39 H new ATOM 0 HG3 LYS A 81 -2.257 -15.257 4.123 1.00 0.39 H new ATOM 0 HD2 LYS A 81 -0.123 -14.158 3.441 1.00 0.40 H new ATOM 0 HD3 LYS A 81 -0.798 -12.597 3.866 1.00 0.40 H new ATOM 0 HE2 LYS A 81 -0.444 -14.921 5.803 1.00 0.53 H new ATOM 0 HE3 LYS A 81 0.656 -13.565 5.660 1.00 0.53 H new ATOM 0 HZ1 LYS A 81 -0.809 -13.141 7.458 1.00 1.47 H new ATOM 0 HZ2 LYS A 81 -1.258 -12.088 6.204 1.00 1.47 H new ATOM 0 HZ3 LYS A 81 -2.186 -13.474 6.523 1.00 1.47 H new ATOM 1321 N GLY A 82 -3.045 -11.218 -0.003 1.00 0.23 N ATOM 1322 CA GLY A 82 -3.309 -10.980 -1.398 1.00 0.26 C ATOM 1323 C GLY A 82 -2.084 -10.501 -2.135 1.00 0.22 C ATOM 1324 O GLY A 82 -0.956 -10.845 -1.776 1.00 0.23 O ATOM 0 H GLY A 82 -2.873 -10.377 0.548 1.00 0.23 H new ATOM 0 HA2 GLY A 82 -3.673 -11.898 -1.859 1.00 0.26 H new ATOM 0 HA3 GLY A 82 -4.102 -10.239 -1.495 1.00 0.26 H new ATOM 1328 N LYS A 83 -2.311 -9.758 -3.201 1.00 0.18 N ATOM 1329 CA LYS A 83 -1.244 -9.168 -3.983 1.00 0.17 C ATOM 1330 C LYS A 83 -1.416 -7.657 -3.992 1.00 0.16 C ATOM 1331 O LYS A 83 -2.541 -7.164 -3.913 1.00 0.20 O ATOM 1332 CB LYS A 83 -1.260 -9.714 -5.416 1.00 0.19 C ATOM 1333 CG LYS A 83 -0.675 -11.114 -5.549 1.00 0.26 C ATOM 1334 CD LYS A 83 -1.544 -12.160 -4.869 1.00 0.30 C ATOM 1335 CE LYS A 83 -0.704 -13.103 -4.030 1.00 0.42 C ATOM 1336 NZ LYS A 83 -1.531 -13.967 -3.144 1.00 1.06 N ATOM 0 H LYS A 83 -3.246 -9.546 -3.550 1.00 0.18 H new ATOM 0 HA LYS A 83 -0.284 -9.425 -3.536 1.00 0.17 H new ATOM 0 HB2 LYS A 83 -2.288 -9.724 -5.779 1.00 0.19 H new ATOM 0 HB3 LYS A 83 -0.701 -9.035 -6.060 1.00 0.19 H new ATOM 0 HG2 LYS A 83 -0.567 -11.363 -6.605 1.00 0.26 H new ATOM 0 HG3 LYS A 83 0.324 -11.133 -5.113 1.00 0.26 H new ATOM 0 HD2 LYS A 83 -2.285 -11.668 -4.238 1.00 0.30 H new ATOM 0 HD3 LYS A 83 -2.092 -12.727 -5.621 1.00 0.30 H new ATOM 0 HE2 LYS A 83 -0.103 -13.732 -4.687 1.00 0.42 H new ATOM 0 HE3 LYS A 83 -0.010 -12.523 -3.422 1.00 0.42 H new ATOM 0 HZ1 LYS A 83 -0.918 -14.650 -2.655 1.00 1.06 H new ATOM 0 HZ2 LYS A 83 -2.021 -13.376 -2.442 1.00 1.06 H new ATOM 0 HZ3 LYS A 83 -2.233 -14.479 -3.715 1.00 1.06 H new ATOM 1350 N LEU A 84 -0.321 -6.926 -4.089 1.00 0.16 N ATOM 1351 CA LEU A 84 -0.377 -5.477 -4.021 1.00 0.15 C ATOM 1352 C LEU A 84 -0.143 -4.873 -5.402 1.00 0.15 C ATOM 1353 O LEU A 84 0.725 -5.324 -6.146 1.00 0.17 O ATOM 1354 CB LEU A 84 0.656 -4.967 -3.010 1.00 0.16 C ATOM 1355 CG LEU A 84 0.464 -3.526 -2.516 1.00 0.16 C ATOM 1356 CD1 LEU A 84 1.058 -2.532 -3.500 1.00 0.17 C ATOM 1357 CD2 LEU A 84 -1.013 -3.221 -2.284 1.00 0.15 C ATOM 0 H LEU A 84 0.616 -7.310 -4.215 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.367 -5.169 -3.686 1.00 0.15 H new ATOM 0 HB2 LEU A 84 0.646 -5.630 -2.145 1.00 0.16 H new ATOM 0 HB3 LEU A 84 1.645 -5.046 -3.461 1.00 0.16 H new ATOM 0 HG LEU A 84 0.989 -3.428 -1.566 1.00 0.16 H new ATOM 0 HD11 LEU A 84 0.909 -1.518 -3.128 1.00 0.17 H new ATOM 0 HD12 LEU A 84 2.125 -2.724 -3.612 1.00 0.17 H new ATOM 0 HD13 LEU A 84 0.566 -2.639 -4.467 1.00 0.17 H new ATOM 0 HD21 LEU A 84 -1.122 -2.194 -1.934 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -1.561 -3.347 -3.218 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -1.412 -3.904 -1.534 1.00 0.15 H new ATOM 1369 N THR A 85 -0.941 -3.872 -5.738 1.00 0.16 N ATOM 1370 CA THR A 85 -0.839 -3.188 -7.015 1.00 0.17 C ATOM 1371 C THR A 85 -0.699 -1.680 -6.813 1.00 0.17 C ATOM 1372 O THR A 85 -1.454 -1.066 -6.060 1.00 0.21 O ATOM 1373 CB THR A 85 -2.079 -3.477 -7.885 1.00 0.19 C ATOM 1374 OG1 THR A 85 -2.151 -4.874 -8.174 1.00 0.20 O ATOM 1375 CG2 THR A 85 -2.051 -2.686 -9.185 1.00 0.20 C ATOM 0 H THR A 85 -1.678 -3.511 -5.132 1.00 0.16 H new ATOM 0 HA THR A 85 0.050 -3.561 -7.523 1.00 0.17 H new ATOM 0 HB THR A 85 -2.960 -3.168 -7.323 1.00 0.19 H new ATOM 0 HG1 THR A 85 -2.941 -5.054 -8.725 1.00 0.20 H new ATOM 0 HG21 THR A 85 -2.941 -2.917 -9.770 1.00 0.20 H new ATOM 0 HG22 THR A 85 -2.030 -1.619 -8.962 1.00 0.20 H new ATOM 0 HG23 THR A 85 -1.162 -2.955 -9.755 1.00 0.20 H new ATOM 1383 N LEU A 86 0.287 -1.096 -7.475 1.00 0.16 N ATOM 1384 CA LEU A 86 0.489 0.345 -7.441 1.00 0.18 C ATOM 1385 C LEU A 86 -0.053 0.965 -8.724 1.00 0.19 C ATOM 1386 O LEU A 86 0.486 0.737 -9.799 1.00 0.21 O ATOM 1387 CB LEU A 86 1.990 0.647 -7.270 1.00 0.22 C ATOM 1388 CG LEU A 86 2.410 2.129 -7.230 1.00 0.53 C ATOM 1389 CD1 LEU A 86 2.555 2.697 -8.638 1.00 1.45 C ATOM 1390 CD2 LEU A 86 1.420 2.955 -6.418 1.00 1.51 C ATOM 0 H LEU A 86 0.964 -1.601 -8.046 1.00 0.16 H new ATOM 0 HA LEU A 86 -0.048 0.778 -6.597 1.00 0.18 H new ATOM 0 HB2 LEU A 86 2.326 0.176 -6.347 1.00 0.22 H new ATOM 0 HB3 LEU A 86 2.527 0.166 -8.088 1.00 0.22 H new ATOM 0 HG LEU A 86 3.382 2.185 -6.741 1.00 0.53 H new ATOM 0 HD11 LEU A 86 2.852 3.744 -8.579 1.00 1.45 H new ATOM 0 HD12 LEU A 86 3.314 2.134 -9.181 1.00 1.45 H new ATOM 0 HD13 LEU A 86 1.602 2.619 -9.162 1.00 1.45 H new ATOM 0 HD21 LEU A 86 1.740 3.997 -6.406 1.00 1.51 H new ATOM 0 HD22 LEU A 86 0.431 2.884 -6.870 1.00 1.51 H new ATOM 0 HD23 LEU A 86 1.381 2.575 -5.397 1.00 1.51 H new ATOM 1402 N LEU A 87 -1.123 1.730 -8.609 1.00 0.20 N ATOM 1403 CA LEU A 87 -1.694 2.421 -9.756 1.00 0.23 C ATOM 1404 C LEU A 87 -0.958 3.738 -9.954 1.00 0.26 C ATOM 1405 O LEU A 87 -0.482 4.326 -8.988 1.00 0.25 O ATOM 1406 CB LEU A 87 -3.182 2.708 -9.528 1.00 0.23 C ATOM 1407 CG LEU A 87 -4.019 1.534 -9.020 1.00 0.21 C ATOM 1408 CD1 LEU A 87 -5.413 2.011 -8.635 1.00 0.22 C ATOM 1409 CD2 LEU A 87 -4.099 0.438 -10.070 1.00 0.24 C ATOM 0 H LEU A 87 -1.617 1.890 -7.731 1.00 0.20 H new ATOM 0 HA LEU A 87 -1.590 1.789 -10.638 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -3.269 3.527 -8.814 1.00 0.23 H new ATOM 0 HB3 LEU A 87 -3.613 3.057 -10.467 1.00 0.23 H new ATOM 0 HG LEU A 87 -3.536 1.120 -8.135 1.00 0.21 H new ATOM 0 HD11 LEU A 87 -6.000 1.166 -8.275 1.00 0.22 H new ATOM 0 HD12 LEU A 87 -5.336 2.762 -7.848 1.00 0.22 H new ATOM 0 HD13 LEU A 87 -5.902 2.447 -9.506 1.00 0.22 H new ATOM 0 HD21 LEU A 87 -4.699 -0.388 -9.689 1.00 0.24 H new ATOM 0 HD22 LEU A 87 -4.560 0.834 -10.975 1.00 0.24 H new ATOM 0 HD23 LEU A 87 -3.095 0.081 -10.301 1.00 0.24 H new ATOM 1421 N GLN A 88 -0.842 4.204 -11.183 1.00 0.34 N ATOM 1422 CA GLN A 88 -0.242 5.507 -11.400 1.00 0.41 C ATOM 1423 C GLN A 88 -1.195 6.417 -12.154 1.00 0.47 C ATOM 1424 O GLN A 88 -1.875 5.992 -13.095 1.00 0.52 O ATOM 1425 CB GLN A 88 1.094 5.407 -12.141 1.00 0.50 C ATOM 1426 CG GLN A 88 0.965 5.062 -13.614 1.00 0.73 C ATOM 1427 CD GLN A 88 2.304 5.041 -14.329 1.00 1.23 C ATOM 1428 OE1 GLN A 88 3.223 5.893 -13.902 1.00 1.93 O flip ATOM 1429 NE2 GLN A 88 2.507 4.269 -15.267 1.00 1.78 N flip ATOM 0 H GLN A 88 -1.146 3.716 -12.026 1.00 0.34 H new ATOM 0 HA GLN A 88 -0.043 5.937 -10.418 1.00 0.41 H new ATOM 0 HB2 GLN A 88 1.621 6.357 -12.047 1.00 0.50 H new ATOM 0 HB3 GLN A 88 1.710 4.651 -11.655 1.00 0.50 H new ATOM 0 HG2 GLN A 88 0.489 4.087 -13.714 1.00 0.73 H new ATOM 0 HG3 GLN A 88 0.311 5.788 -14.097 1.00 0.73 H new ATOM 0 HE21 GLN A 88 1.773 3.627 -15.567 1.00 1.78 H new ATOM 0 HE22 GLN A 88 3.409 4.272 -15.744 1.00 1.78 H new ATOM 1438 N HIS A 89 -1.225 7.663 -11.705 1.00 0.50 N ATOM 1439 CA HIS A 89 -2.055 8.726 -12.262 1.00 0.58 C ATOM 1440 C HIS A 89 -2.112 9.839 -11.228 1.00 0.56 C ATOM 1441 O HIS A 89 -2.082 11.025 -11.553 1.00 0.58 O ATOM 1442 CB HIS A 89 -3.482 8.249 -12.584 1.00 0.66 C ATOM 1443 CG HIS A 89 -4.294 9.236 -13.372 1.00 0.84 C ATOM 1444 ND1 HIS A 89 -4.541 9.101 -14.722 1.00 1.57 N ATOM 1445 CD2 HIS A 89 -4.929 10.371 -12.991 1.00 1.46 C ATOM 1446 CE1 HIS A 89 -5.287 10.108 -15.136 1.00 1.79 C ATOM 1447 NE2 HIS A 89 -5.537 10.891 -14.106 1.00 1.67 N ATOM 0 H HIS A 89 -0.655 7.974 -10.918 1.00 0.50 H new ATOM 0 HA HIS A 89 -1.618 9.064 -13.202 1.00 0.58 H new ATOM 0 HB2 HIS A 89 -3.424 7.314 -13.142 1.00 0.66 H new ATOM 0 HB3 HIS A 89 -4.000 8.031 -11.650 1.00 0.66 H new ATOM 0 HD2 HIS A 89 -4.952 10.789 -11.995 1.00 1.46 H new ATOM 0 HE1 HIS A 89 -5.634 10.264 -16.147 1.00 1.79 H new ATOM 0 HE2 HIS A 89 -6.093 11.746 -14.133 1.00 1.67 H new ATOM 1456 N PHE A 90 -2.185 9.418 -9.966 1.00 0.58 N ATOM 1457 CA PHE A 90 -2.201 10.322 -8.829 1.00 0.61 C ATOM 1458 C PHE A 90 -0.970 11.223 -8.809 1.00 0.61 C ATOM 1459 O PHE A 90 -1.046 12.369 -8.389 1.00 0.60 O ATOM 1460 CB PHE A 90 -2.266 9.512 -7.529 1.00 0.74 C ATOM 1461 CG PHE A 90 -1.000 8.762 -7.199 1.00 1.67 C ATOM 1462 CD1 PHE A 90 -0.149 9.226 -6.210 1.00 1.56 C ATOM 1463 CD2 PHE A 90 -0.662 7.600 -7.876 1.00 2.87 C ATOM 1464 CE1 PHE A 90 1.014 8.547 -5.899 1.00 2.57 C ATOM 1465 CE2 PHE A 90 0.501 6.917 -7.569 1.00 3.95 C ATOM 1466 CZ PHE A 90 1.340 7.391 -6.581 1.00 3.79 C ATOM 0 H PHE A 90 -2.235 8.433 -9.708 1.00 0.58 H new ATOM 0 HA PHE A 90 -3.082 10.958 -8.918 1.00 0.61 H new ATOM 0 HB2 PHE A 90 -2.499 10.187 -6.706 1.00 0.74 H new ATOM 0 HB3 PHE A 90 -3.088 8.800 -7.600 1.00 0.74 H new ATOM 0 HD1 PHE A 90 -0.397 10.130 -5.675 1.00 1.56 H new ATOM 0 HD2 PHE A 90 -1.314 7.224 -8.651 1.00 2.87 H new ATOM 0 HE1 PHE A 90 1.667 8.920 -5.124 1.00 2.57 H new ATOM 0 HE2 PHE A 90 0.753 6.012 -8.103 1.00 3.95 H new ATOM 0 HZ PHE A 90 2.249 6.859 -6.342 1.00 3.79 H new ATOM 1476 N ASP A 91 0.149 10.703 -9.300 1.00 0.75 N ATOM 1477 CA ASP A 91 1.433 11.393 -9.219 1.00 0.87 C ATOM 1478 C ASP A 91 1.443 12.670 -10.055 1.00 0.92 C ATOM 1479 O ASP A 91 2.350 13.494 -9.931 1.00 1.01 O ATOM 1480 CB ASP A 91 2.563 10.463 -9.673 1.00 1.07 C ATOM 1481 CG ASP A 91 2.466 10.098 -11.141 1.00 1.65 C ATOM 1482 OD1 ASP A 91 3.331 10.540 -11.927 1.00 2.22 O ATOM 1483 OD2 ASP A 91 1.521 9.367 -11.514 1.00 1.88 O ATOM 0 H ASP A 91 0.193 9.796 -9.764 1.00 0.75 H new ATOM 0 HA ASP A 91 1.590 11.674 -8.178 1.00 0.87 H new ATOM 0 HB2 ASP A 91 3.522 10.945 -9.485 1.00 1.07 H new ATOM 0 HB3 ASP A 91 2.541 9.552 -9.074 1.00 1.07 H new ATOM 1488 N SER A 92 0.445 12.830 -10.913 1.00 0.96 N ATOM 1489 CA SER A 92 0.353 14.015 -11.750 1.00 1.15 C ATOM 1490 C SER A 92 -0.531 15.086 -11.095 1.00 1.10 C ATOM 1491 O SER A 92 -0.502 16.251 -11.491 1.00 1.33 O ATOM 1492 CB SER A 92 -0.187 13.640 -13.134 1.00 1.33 C ATOM 1493 OG SER A 92 -0.045 14.713 -14.051 1.00 1.78 O ATOM 0 H SER A 92 -0.309 12.156 -11.047 1.00 0.96 H new ATOM 0 HA SER A 92 1.353 14.434 -11.865 1.00 1.15 H new ATOM 0 HB2 SER A 92 0.344 12.765 -13.509 1.00 1.33 H new ATOM 0 HB3 SER A 92 -1.238 13.364 -13.054 1.00 1.33 H new ATOM 0 HG SER A 92 -0.396 14.445 -14.926 1.00 1.78 H new ATOM 1499 N SER A 93 -1.302 14.700 -10.085 1.00 0.88 N ATOM 1500 CA SER A 93 -2.196 15.643 -9.415 1.00 0.93 C ATOM 1501 C SER A 93 -1.795 15.827 -7.952 1.00 0.83 C ATOM 1502 O SER A 93 -1.875 16.928 -7.404 1.00 0.96 O ATOM 1503 CB SER A 93 -3.645 15.144 -9.510 1.00 0.96 C ATOM 1504 OG SER A 93 -4.551 16.036 -8.878 1.00 1.63 O ATOM 0 H SER A 93 -1.328 13.751 -9.713 1.00 0.88 H new ATOM 0 HA SER A 93 -2.117 16.610 -9.912 1.00 0.93 H new ATOM 0 HB2 SER A 93 -3.921 15.027 -10.558 1.00 0.96 H new ATOM 0 HB3 SER A 93 -3.722 14.160 -9.048 1.00 0.96 H new ATOM 0 HG SER A 93 -5.463 15.688 -8.959 1.00 1.63 H new ATOM 1510 N PHE A 94 -1.339 14.748 -7.339 1.00 0.65 N ATOM 1511 CA PHE A 94 -0.923 14.766 -5.950 1.00 0.62 C ATOM 1512 C PHE A 94 0.591 14.961 -5.888 1.00 0.55 C ATOM 1513 O PHE A 94 1.336 14.257 -6.571 1.00 0.56 O ATOM 1514 CB PHE A 94 -1.346 13.456 -5.273 1.00 0.63 C ATOM 1515 CG PHE A 94 -1.374 13.506 -3.770 1.00 1.17 C ATOM 1516 CD1 PHE A 94 -0.799 12.494 -3.023 1.00 2.12 C ATOM 1517 CD2 PHE A 94 -1.986 14.559 -3.106 1.00 1.16 C ATOM 1518 CE1 PHE A 94 -0.832 12.529 -1.643 1.00 2.85 C ATOM 1519 CE2 PHE A 94 -2.017 14.601 -1.725 1.00 1.80 C ATOM 1520 CZ PHE A 94 -1.440 13.584 -0.992 1.00 2.62 C ATOM 0 H PHE A 94 -1.247 13.838 -7.790 1.00 0.65 H new ATOM 0 HA PHE A 94 -1.401 15.590 -5.419 1.00 0.62 H new ATOM 0 HB2 PHE A 94 -2.338 13.181 -5.632 1.00 0.63 H new ATOM 0 HB3 PHE A 94 -0.663 12.665 -5.584 1.00 0.63 H new ATOM 0 HD1 PHE A 94 -0.319 11.667 -3.525 1.00 2.12 H new ATOM 0 HD2 PHE A 94 -2.443 15.355 -3.675 1.00 1.16 H new ATOM 0 HE1 PHE A 94 -0.382 11.730 -1.072 1.00 2.85 H new ATOM 0 HE2 PHE A 94 -2.492 15.429 -1.220 1.00 1.80 H new ATOM 0 HZ PHE A 94 -1.464 13.613 0.087 1.00 2.62 H new ATOM 1530 N PRO A 95 1.066 15.926 -5.087 1.00 0.57 N ATOM 1531 CA PRO A 95 2.489 16.301 -5.039 1.00 0.56 C ATOM 1532 C PRO A 95 3.387 15.277 -4.336 1.00 0.50 C ATOM 1533 O PRO A 95 4.490 15.612 -3.903 1.00 0.68 O ATOM 1534 CB PRO A 95 2.473 17.612 -4.254 1.00 0.61 C ATOM 1535 CG PRO A 95 1.281 17.498 -3.373 1.00 0.62 C ATOM 1536 CD PRO A 95 0.253 16.753 -4.175 1.00 0.69 C ATOM 0 HA PRO A 95 2.907 16.370 -6.043 1.00 0.56 H new ATOM 0 HB2 PRO A 95 3.386 17.739 -3.673 1.00 0.61 H new ATOM 0 HB3 PRO A 95 2.396 18.473 -4.918 1.00 0.61 H new ATOM 0 HG2 PRO A 95 1.523 16.964 -2.454 1.00 0.62 H new ATOM 0 HG3 PRO A 95 0.913 18.482 -3.083 1.00 0.62 H new ATOM 0 HD2 PRO A 95 -0.386 16.141 -3.539 1.00 0.69 H new ATOM 0 HD3 PRO A 95 -0.400 17.433 -4.723 1.00 0.69 H new ATOM 1544 N ILE A 96 2.931 14.039 -4.218 1.00 0.36 N ATOM 1545 CA ILE A 96 3.749 12.997 -3.617 1.00 0.29 C ATOM 1546 C ILE A 96 4.050 11.901 -4.626 1.00 0.31 C ATOM 1547 O ILE A 96 3.147 11.229 -5.124 1.00 0.34 O ATOM 1548 CB ILE A 96 3.110 12.371 -2.367 1.00 0.23 C ATOM 1549 CG1 ILE A 96 2.697 13.455 -1.374 1.00 0.29 C ATOM 1550 CG2 ILE A 96 4.106 11.435 -1.720 1.00 0.26 C ATOM 1551 CD1 ILE A 96 2.211 12.919 -0.046 1.00 0.24 C ATOM 0 H ILE A 96 2.008 13.733 -4.527 1.00 0.36 H new ATOM 0 HA ILE A 96 4.672 13.485 -3.305 1.00 0.29 H new ATOM 0 HB ILE A 96 2.218 11.818 -2.661 1.00 0.23 H new ATOM 0 HG12 ILE A 96 3.546 14.116 -1.199 1.00 0.29 H new ATOM 0 HG13 ILE A 96 1.908 14.061 -1.820 1.00 0.29 H new ATOM 0 HG21 ILE A 96 3.660 10.987 -0.832 1.00 0.26 H new ATOM 0 HG22 ILE A 96 4.379 10.650 -2.425 1.00 0.26 H new ATOM 0 HG23 ILE A 96 4.998 11.993 -1.436 1.00 0.26 H new ATOM 0 HD11 ILE A 96 1.937 13.750 0.604 1.00 0.24 H new ATOM 0 HD12 ILE A 96 1.341 12.282 -0.207 1.00 0.24 H new ATOM 0 HD13 ILE A 96 3.004 12.338 0.424 1.00 0.24 H new ATOM 1563 N LYS A 97 5.327 11.742 -4.928 1.00 0.35 N ATOM 1564 CA LYS A 97 5.779 10.714 -5.851 1.00 0.38 C ATOM 1565 C LYS A 97 6.677 9.734 -5.110 1.00 0.35 C ATOM 1566 O LYS A 97 7.616 10.133 -4.427 1.00 0.44 O ATOM 1567 CB LYS A 97 6.522 11.351 -7.026 1.00 0.50 C ATOM 1568 CG LYS A 97 5.689 12.382 -7.768 1.00 0.75 C ATOM 1569 CD LYS A 97 6.525 13.189 -8.744 1.00 0.78 C ATOM 1570 CE LYS A 97 5.711 14.327 -9.341 1.00 0.91 C ATOM 1571 NZ LYS A 97 6.489 15.127 -10.323 1.00 1.38 N ATOM 0 H LYS A 97 6.076 12.318 -4.543 1.00 0.35 H new ATOM 0 HA LYS A 97 4.919 10.175 -6.248 1.00 0.38 H new ATOM 0 HB2 LYS A 97 7.433 11.824 -6.659 1.00 0.50 H new ATOM 0 HB3 LYS A 97 6.827 10.570 -7.722 1.00 0.50 H new ATOM 0 HG2 LYS A 97 4.886 11.880 -8.307 1.00 0.75 H new ATOM 0 HG3 LYS A 97 5.219 13.054 -7.050 1.00 0.75 H new ATOM 0 HD2 LYS A 97 7.401 13.591 -8.234 1.00 0.78 H new ATOM 0 HD3 LYS A 97 6.890 12.540 -9.540 1.00 0.78 H new ATOM 0 HE2 LYS A 97 4.826 13.920 -9.829 1.00 0.91 H new ATOM 0 HE3 LYS A 97 5.362 14.979 -8.540 1.00 0.91 H new ATOM 0 HZ1 LYS A 97 5.891 15.889 -10.701 1.00 1.38 H new ATOM 0 HZ2 LYS A 97 7.320 15.539 -9.854 1.00 1.38 H new ATOM 0 HZ3 LYS A 97 6.800 14.513 -11.102 1.00 1.38 H new ATOM 1585 N VAL A 98 6.379 8.457 -5.237 1.00 0.30 N ATOM 1586 CA VAL A 98 7.037 7.429 -4.437 1.00 0.26 C ATOM 1587 C VAL A 98 7.100 6.103 -5.185 1.00 0.28 C ATOM 1588 O VAL A 98 6.450 5.931 -6.220 1.00 0.33 O ATOM 1589 CB VAL A 98 6.302 7.197 -3.097 1.00 0.21 C ATOM 1590 CG1 VAL A 98 6.380 8.423 -2.197 1.00 0.25 C ATOM 1591 CG2 VAL A 98 4.850 6.811 -3.343 1.00 0.21 C ATOM 0 H VAL A 98 5.682 8.099 -5.889 1.00 0.30 H new ATOM 0 HA VAL A 98 8.047 7.789 -4.240 1.00 0.26 H new ATOM 0 HB VAL A 98 6.802 6.375 -2.585 1.00 0.21 H new ATOM 0 HG11 VAL A 98 5.853 8.224 -1.264 1.00 0.25 H new ATOM 0 HG12 VAL A 98 7.424 8.651 -1.982 1.00 0.25 H new ATOM 0 HG13 VAL A 98 5.919 9.273 -2.700 1.00 0.25 H new ATOM 0 HG21 VAL A 98 4.349 6.652 -2.388 1.00 0.21 H new ATOM 0 HG22 VAL A 98 4.348 7.611 -3.887 1.00 0.21 H new ATOM 0 HG23 VAL A 98 4.812 5.893 -3.930 1.00 0.21 H new ATOM 1601 N ASP A 99 7.885 5.173 -4.653 1.00 0.28 N ATOM 1602 CA ASP A 99 7.983 3.828 -5.209 1.00 0.32 C ATOM 1603 C ASP A 99 7.973 2.787 -4.099 1.00 0.23 C ATOM 1604 O ASP A 99 8.605 2.966 -3.053 1.00 0.27 O ATOM 1605 CB ASP A 99 9.241 3.666 -6.061 1.00 0.51 C ATOM 1606 CG ASP A 99 9.109 4.297 -7.432 1.00 0.63 C ATOM 1607 OD1 ASP A 99 8.593 3.635 -8.358 1.00 1.11 O ATOM 1608 OD2 ASP A 99 9.520 5.466 -7.595 1.00 0.98 O ATOM 0 H ASP A 99 8.468 5.328 -3.830 1.00 0.28 H new ATOM 0 HA ASP A 99 7.115 3.675 -5.850 1.00 0.32 H new ATOM 0 HB2 ASP A 99 10.087 4.114 -5.540 1.00 0.51 H new ATOM 0 HB3 ASP A 99 9.463 2.605 -6.175 1.00 0.51 H new ATOM 1613 N LEU A 100 7.243 1.709 -4.334 1.00 0.19 N ATOM 1614 CA LEU A 100 7.072 0.653 -3.355 1.00 0.13 C ATOM 1615 C LEU A 100 8.075 -0.471 -3.573 1.00 0.13 C ATOM 1616 O LEU A 100 8.269 -0.935 -4.699 1.00 0.16 O ATOM 1617 CB LEU A 100 5.656 0.080 -3.445 1.00 0.18 C ATOM 1618 CG LEU A 100 4.509 1.035 -3.087 1.00 0.25 C ATOM 1619 CD1 LEU A 100 4.376 2.169 -4.093 1.00 0.26 C ATOM 1620 CD2 LEU A 100 3.201 0.266 -2.999 1.00 0.35 C ATOM 0 H LEU A 100 6.752 1.543 -5.212 1.00 0.19 H new ATOM 0 HA LEU A 100 7.239 1.086 -2.369 1.00 0.13 H new ATOM 0 HB2 LEU A 100 5.497 -0.279 -4.462 1.00 0.18 H new ATOM 0 HB3 LEU A 100 5.596 -0.787 -2.788 1.00 0.18 H new ATOM 0 HG LEU A 100 4.741 1.478 -2.119 1.00 0.25 H new ATOM 0 HD11 LEU A 100 3.552 2.820 -3.800 1.00 0.26 H new ATOM 0 HD12 LEU A 100 5.302 2.744 -4.118 1.00 0.26 H new ATOM 0 HD13 LEU A 100 4.179 1.756 -5.082 1.00 0.26 H new ATOM 0 HD21 LEU A 100 2.392 0.951 -2.745 1.00 0.35 H new ATOM 0 HD22 LEU A 100 2.990 -0.204 -3.960 1.00 0.35 H new ATOM 0 HD23 LEU A 100 3.281 -0.502 -2.230 1.00 0.35 H new ATOM 1632 N TYR A 101 8.702 -0.907 -2.492 1.00 0.13 N ATOM 1633 CA TYR A 101 9.621 -2.038 -2.535 1.00 0.16 C ATOM 1634 C TYR A 101 9.241 -3.058 -1.470 1.00 0.16 C ATOM 1635 O TYR A 101 8.795 -2.688 -0.380 1.00 0.19 O ATOM 1636 CB TYR A 101 11.084 -1.592 -2.339 1.00 0.19 C ATOM 1637 CG TYR A 101 11.737 -1.043 -3.592 1.00 0.21 C ATOM 1638 CD1 TYR A 101 11.160 -0.006 -4.315 1.00 0.20 C ATOM 1639 CD2 TYR A 101 12.930 -1.581 -4.060 1.00 0.26 C ATOM 1640 CE1 TYR A 101 11.749 0.475 -5.466 1.00 0.24 C ATOM 1641 CE2 TYR A 101 13.529 -1.099 -5.209 1.00 0.30 C ATOM 1642 CZ TYR A 101 12.932 -0.073 -5.909 1.00 0.28 C ATOM 1643 OH TYR A 101 13.516 0.404 -7.059 1.00 0.33 O ATOM 0 H TYR A 101 8.591 -0.493 -1.567 1.00 0.13 H new ATOM 0 HA TYR A 101 9.542 -2.494 -3.522 1.00 0.16 H new ATOM 0 HB2 TYR A 101 11.119 -0.830 -1.560 1.00 0.19 H new ATOM 0 HB3 TYR A 101 11.666 -2.441 -1.981 1.00 0.19 H new ATOM 0 HD1 TYR A 101 10.235 0.431 -3.970 1.00 0.20 H new ATOM 0 HD2 TYR A 101 13.397 -2.389 -3.517 1.00 0.26 H new ATOM 0 HE1 TYR A 101 11.284 1.279 -6.018 1.00 0.24 H new ATOM 0 HE2 TYR A 101 14.459 -1.524 -5.556 1.00 0.30 H new ATOM 0 HH TYR A 101 13.346 1.366 -7.137 1.00 0.33 H new ATOM 1653 N PHE A 102 9.397 -4.335 -1.791 1.00 0.16 N ATOM 1654 CA PHE A 102 9.152 -5.399 -0.833 1.00 0.16 C ATOM 1655 C PHE A 102 10.451 -6.105 -0.483 1.00 0.15 C ATOM 1656 O PHE A 102 11.400 -6.119 -1.265 1.00 0.19 O ATOM 1657 CB PHE A 102 8.174 -6.458 -1.366 1.00 0.20 C ATOM 1658 CG PHE A 102 6.738 -6.045 -1.389 1.00 0.16 C ATOM 1659 CD1 PHE A 102 6.273 -5.117 -0.491 1.00 0.24 C ATOM 1660 CD2 PHE A 102 5.848 -6.615 -2.284 1.00 0.25 C ATOM 1661 CE1 PHE A 102 4.950 -4.751 -0.472 1.00 0.27 C ATOM 1662 CE2 PHE A 102 4.516 -6.251 -2.278 1.00 0.34 C ATOM 1663 CZ PHE A 102 4.066 -5.314 -1.369 1.00 0.31 C ATOM 0 H PHE A 102 9.693 -4.658 -2.712 1.00 0.16 H new ATOM 0 HA PHE A 102 8.714 -4.923 0.044 1.00 0.16 H new ATOM 0 HB2 PHE A 102 8.474 -6.729 -2.378 1.00 0.20 H new ATOM 0 HB3 PHE A 102 8.267 -7.356 -0.755 1.00 0.20 H new ATOM 0 HD1 PHE A 102 6.959 -4.668 0.212 1.00 0.24 H new ATOM 0 HD2 PHE A 102 6.199 -7.351 -2.993 1.00 0.25 H new ATOM 0 HE1 PHE A 102 4.601 -4.022 0.245 1.00 0.27 H new ATOM 0 HE2 PHE A 102 3.829 -6.697 -2.982 1.00 0.34 H new ATOM 0 HZ PHE A 102 3.026 -5.023 -1.360 1.00 0.31 H new ATOM 1673 N LEU A 103 10.469 -6.698 0.688 1.00 0.16 N ATOM 1674 CA LEU A 103 11.577 -7.516 1.135 1.00 0.17 C ATOM 1675 C LEU A 103 11.108 -8.964 1.182 1.00 0.18 C ATOM 1676 O LEU A 103 10.080 -9.249 1.783 1.00 0.19 O ATOM 1677 CB LEU A 103 12.003 -7.049 2.534 1.00 0.18 C ATOM 1678 CG LEU A 103 13.419 -7.408 3.006 1.00 0.22 C ATOM 1679 CD1 LEU A 103 13.642 -8.910 3.087 1.00 0.22 C ATOM 1680 CD2 LEU A 103 14.471 -6.767 2.118 1.00 0.25 C ATOM 0 H LEU A 103 9.709 -6.627 1.365 1.00 0.16 H new ATOM 0 HA LEU A 103 12.427 -7.429 0.458 1.00 0.17 H new ATOM 0 HB2 LEU A 103 11.902 -5.964 2.571 1.00 0.18 H new ATOM 0 HB3 LEU A 103 11.295 -7.459 3.254 1.00 0.18 H new ATOM 0 HG LEU A 103 13.519 -7.009 4.015 1.00 0.22 H new ATOM 0 HD11 LEU A 103 14.659 -9.109 3.426 1.00 0.22 H new ATOM 0 HD12 LEU A 103 12.933 -9.346 3.791 1.00 0.22 H new ATOM 0 HD13 LEU A 103 13.494 -9.353 2.102 1.00 0.22 H new ATOM 0 HD21 LEU A 103 15.464 -7.039 2.476 1.00 0.25 H new ATOM 0 HD22 LEU A 103 14.346 -7.119 1.094 1.00 0.25 H new ATOM 0 HD23 LEU A 103 14.359 -5.683 2.146 1.00 0.25 H new ATOM 1692 N LYS A 104 11.818 -9.864 0.523 1.00 0.23 N ATOM 1693 CA LYS A 104 11.500 -11.283 0.618 1.00 0.29 C ATOM 1694 C LYS A 104 12.754 -12.106 0.855 1.00 0.33 C ATOM 1695 O LYS A 104 13.590 -12.255 -0.037 1.00 0.39 O ATOM 1696 CB LYS A 104 10.762 -11.782 -0.623 1.00 0.42 C ATOM 1697 CG LYS A 104 9.251 -11.650 -0.511 1.00 0.60 C ATOM 1698 CD LYS A 104 8.728 -10.345 -1.086 1.00 0.64 C ATOM 1699 CE LYS A 104 8.864 -10.292 -2.597 1.00 0.66 C ATOM 1700 NZ LYS A 104 8.153 -11.420 -3.254 1.00 1.22 N ATOM 0 H LYS A 104 12.611 -9.643 -0.079 1.00 0.23 H new ATOM 0 HA LYS A 104 10.835 -11.408 1.473 1.00 0.29 H new ATOM 0 HB2 LYS A 104 11.106 -11.222 -1.493 1.00 0.42 H new ATOM 0 HB3 LYS A 104 11.018 -12.828 -0.795 1.00 0.42 H new ATOM 0 HG2 LYS A 104 8.779 -12.485 -1.029 1.00 0.60 H new ATOM 0 HG3 LYS A 104 8.962 -11.721 0.538 1.00 0.60 H new ATOM 0 HD2 LYS A 104 7.680 -10.223 -0.812 1.00 0.64 H new ATOM 0 HD3 LYS A 104 9.272 -9.511 -0.644 1.00 0.64 H new ATOM 0 HE2 LYS A 104 8.465 -9.347 -2.965 1.00 0.66 H new ATOM 0 HE3 LYS A 104 9.919 -10.320 -2.868 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 7.737 -11.094 -4.149 1.00 1.22 H new ATOM 0 HZ2 LYS A 104 8.825 -12.190 -3.445 1.00 1.22 H new ATOM 0 HZ3 LYS A 104 7.399 -11.767 -2.628 1.00 1.22 H new ATOM 1714 N GLY A 105 12.871 -12.637 2.062 1.00 0.34 N ATOM 1715 CA GLY A 105 14.049 -13.386 2.437 1.00 0.42 C ATOM 1716 C GLY A 105 15.263 -12.495 2.518 1.00 0.40 C ATOM 1717 O GLY A 105 15.434 -11.747 3.483 1.00 0.40 O ATOM 0 H GLY A 105 12.164 -12.561 2.793 1.00 0.34 H new ATOM 0 HA2 GLY A 105 13.884 -13.868 3.401 1.00 0.42 H new ATOM 0 HA3 GLY A 105 14.225 -14.179 1.710 1.00 0.42 H new ATOM 1721 N SER A 106 16.098 -12.568 1.503 1.00 0.40 N ATOM 1722 CA SER A 106 17.235 -11.679 1.389 1.00 0.41 C ATOM 1723 C SER A 106 17.123 -10.841 0.122 1.00 0.37 C ATOM 1724 O SER A 106 17.924 -9.947 -0.119 1.00 0.41 O ATOM 1725 CB SER A 106 18.533 -12.487 1.393 1.00 0.52 C ATOM 1726 OG SER A 106 18.419 -13.643 0.577 1.00 1.31 O ATOM 0 H SER A 106 16.009 -13.239 0.740 1.00 0.40 H new ATOM 0 HA SER A 106 17.246 -11.004 2.245 1.00 0.41 H new ATOM 0 HB2 SER A 106 19.353 -11.865 1.035 1.00 0.52 H new ATOM 0 HB3 SER A 106 18.778 -12.781 2.413 1.00 0.52 H new ATOM 0 HG SER A 106 19.263 -14.141 0.596 1.00 1.31 H new ATOM 1732 N LYS A 107 16.104 -11.120 -0.675 1.00 0.36 N ATOM 1733 CA LYS A 107 15.935 -10.458 -1.956 1.00 0.37 C ATOM 1734 C LYS A 107 14.905 -9.335 -1.865 1.00 0.32 C ATOM 1735 O LYS A 107 13.730 -9.573 -1.581 1.00 0.39 O ATOM 1736 CB LYS A 107 15.511 -11.476 -3.023 1.00 0.47 C ATOM 1737 CG LYS A 107 15.436 -10.905 -4.432 1.00 0.65 C ATOM 1738 CD LYS A 107 16.789 -10.393 -4.899 1.00 0.95 C ATOM 1739 CE LYS A 107 16.745 -9.909 -6.340 1.00 1.57 C ATOM 1740 NZ LYS A 107 15.783 -8.790 -6.528 1.00 2.27 N ATOM 0 H LYS A 107 15.379 -11.803 -0.455 1.00 0.36 H new ATOM 0 HA LYS A 107 16.891 -10.018 -2.239 1.00 0.37 H new ATOM 0 HB2 LYS A 107 16.216 -12.308 -3.017 1.00 0.47 H new ATOM 0 HB3 LYS A 107 14.536 -11.882 -2.755 1.00 0.47 H new ATOM 0 HG2 LYS A 107 15.080 -11.673 -5.118 1.00 0.65 H new ATOM 0 HG3 LYS A 107 14.710 -10.093 -4.458 1.00 0.65 H new ATOM 0 HD2 LYS A 107 17.112 -9.578 -4.252 1.00 0.95 H new ATOM 0 HD3 LYS A 107 17.530 -11.187 -4.805 1.00 0.95 H new ATOM 0 HE2 LYS A 107 17.741 -9.585 -6.643 1.00 1.57 H new ATOM 0 HE3 LYS A 107 16.468 -10.738 -6.991 1.00 1.57 H new ATOM 0 HZ1 LYS A 107 16.162 -8.121 -7.228 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 14.874 -9.167 -6.865 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 15.640 -8.299 -5.622 1.00 2.27 H new ATOM 1754 N VAL A 108 15.360 -8.113 -2.089 1.00 0.24 N ATOM 1755 CA VAL A 108 14.465 -6.970 -2.184 1.00 0.22 C ATOM 1756 C VAL A 108 13.873 -6.894 -3.591 1.00 0.23 C ATOM 1757 O VAL A 108 14.578 -7.090 -4.586 1.00 0.30 O ATOM 1758 CB VAL A 108 15.186 -5.647 -1.821 1.00 0.26 C ATOM 1759 CG1 VAL A 108 16.557 -5.583 -2.464 1.00 0.74 C ATOM 1760 CG2 VAL A 108 14.347 -4.444 -2.225 1.00 0.79 C ATOM 0 H VAL A 108 16.347 -7.886 -2.209 1.00 0.24 H new ATOM 0 HA VAL A 108 13.660 -7.107 -1.462 1.00 0.22 H new ATOM 0 HB VAL A 108 15.317 -5.623 -0.739 1.00 0.26 H new ATOM 0 HG11 VAL A 108 17.042 -4.645 -2.194 1.00 0.74 H new ATOM 0 HG12 VAL A 108 17.163 -6.419 -2.114 1.00 0.74 H new ATOM 0 HG13 VAL A 108 16.454 -5.639 -3.548 1.00 0.74 H new ATOM 0 HG21 VAL A 108 14.874 -3.527 -1.960 1.00 0.79 H new ATOM 0 HG22 VAL A 108 14.175 -4.465 -3.301 1.00 0.79 H new ATOM 0 HG23 VAL A 108 13.390 -4.476 -1.704 1.00 0.79 H new ATOM 1770 N MET A 109 12.576 -6.643 -3.661 1.00 0.22 N ATOM 1771 CA MET A 109 11.851 -6.645 -4.921 1.00 0.27 C ATOM 1772 C MET A 109 10.930 -5.433 -5.024 1.00 0.24 C ATOM 1773 O MET A 109 10.035 -5.263 -4.200 1.00 0.25 O ATOM 1774 CB MET A 109 11.015 -7.919 -5.038 1.00 0.36 C ATOM 1775 CG MET A 109 11.830 -9.191 -5.203 1.00 0.44 C ATOM 1776 SD MET A 109 12.813 -9.195 -6.712 1.00 1.47 S ATOM 1777 CE MET A 109 11.539 -8.972 -7.953 1.00 1.85 C ATOM 0 H MET A 109 11.997 -6.433 -2.848 1.00 0.22 H new ATOM 0 HA MET A 109 12.581 -6.603 -5.730 1.00 0.27 H new ATOM 0 HB2 MET A 109 10.392 -8.014 -4.148 1.00 0.36 H new ATOM 0 HB3 MET A 109 10.342 -7.820 -5.889 1.00 0.36 H new ATOM 0 HG2 MET A 109 12.490 -9.309 -4.344 1.00 0.44 H new ATOM 0 HG3 MET A 109 11.159 -10.050 -5.209 1.00 0.44 H new ATOM 0 HE1 MET A 109 11.907 -9.318 -8.919 1.00 1.85 H new ATOM 0 HE2 MET A 109 10.656 -9.547 -7.675 1.00 1.85 H new ATOM 0 HE3 MET A 109 11.278 -7.916 -8.021 1.00 1.85 H new ATOM 1787 N PRO A 110 11.135 -4.576 -6.031 1.00 0.24 N ATOM 1788 CA PRO A 110 10.284 -3.405 -6.254 1.00 0.23 C ATOM 1789 C PRO A 110 8.920 -3.777 -6.840 1.00 0.21 C ATOM 1790 O PRO A 110 8.768 -4.824 -7.476 1.00 0.20 O ATOM 1791 CB PRO A 110 11.093 -2.578 -7.248 1.00 0.27 C ATOM 1792 CG PRO A 110 11.874 -3.580 -8.010 1.00 0.29 C ATOM 1793 CD PRO A 110 12.216 -4.666 -7.030 1.00 0.28 C ATOM 0 HA PRO A 110 10.053 -2.880 -5.327 1.00 0.23 H new ATOM 0 HB2 PRO A 110 10.444 -1.998 -7.904 1.00 0.27 H new ATOM 0 HB3 PRO A 110 11.746 -1.870 -6.738 1.00 0.27 H new ATOM 0 HG2 PRO A 110 11.294 -3.975 -8.844 1.00 0.29 H new ATOM 0 HG3 PRO A 110 12.776 -3.135 -8.431 1.00 0.29 H new ATOM 0 HD2 PRO A 110 12.241 -5.645 -7.508 1.00 0.28 H new ATOM 0 HD3 PRO A 110 13.195 -4.506 -6.578 1.00 0.28 H new ATOM 1801 N LEU A 111 7.935 -2.913 -6.622 1.00 0.23 N ATOM 1802 CA LEU A 111 6.582 -3.137 -7.117 1.00 0.22 C ATOM 1803 C LEU A 111 6.476 -2.661 -8.560 1.00 0.22 C ATOM 1804 O LEU A 111 7.074 -1.650 -8.932 1.00 0.26 O ATOM 1805 CB LEU A 111 5.575 -2.361 -6.257 1.00 0.27 C ATOM 1806 CG LEU A 111 4.263 -3.076 -5.906 1.00 0.27 C ATOM 1807 CD1 LEU A 111 3.724 -3.903 -7.065 1.00 0.24 C ATOM 1808 CD2 LEU A 111 4.456 -3.933 -4.676 1.00 0.31 C ATOM 0 H LEU A 111 8.050 -2.044 -6.101 1.00 0.23 H new ATOM 0 HA LEU A 111 6.360 -4.203 -7.065 1.00 0.22 H new ATOM 0 HB2 LEU A 111 6.069 -2.082 -5.326 1.00 0.27 H new ATOM 0 HB3 LEU A 111 5.328 -1.435 -6.777 1.00 0.27 H new ATOM 0 HG LEU A 111 3.516 -2.310 -5.697 1.00 0.27 H new ATOM 0 HD11 LEU A 111 2.795 -4.388 -6.765 1.00 0.24 H new ATOM 0 HD12 LEU A 111 3.534 -3.253 -7.919 1.00 0.24 H new ATOM 0 HD13 LEU A 111 4.456 -4.661 -7.342 1.00 0.24 H new ATOM 0 HD21 LEU A 111 3.521 -4.437 -4.433 1.00 0.31 H new ATOM 0 HD22 LEU A 111 5.230 -4.676 -4.868 1.00 0.31 H new ATOM 0 HD23 LEU A 111 4.757 -3.304 -3.838 1.00 0.31 H new ATOM 1820 N ASN A 112 5.724 -3.388 -9.367 1.00 0.22 N ATOM 1821 CA ASN A 112 5.482 -2.993 -10.745 1.00 0.25 C ATOM 1822 C ASN A 112 4.177 -2.210 -10.840 1.00 0.23 C ATOM 1823 O ASN A 112 3.200 -2.521 -10.152 1.00 0.22 O ATOM 1824 CB ASN A 112 5.430 -4.217 -11.661 1.00 0.29 C ATOM 1825 CG ASN A 112 6.764 -4.928 -11.768 1.00 1.06 C ATOM 1826 OD1 ASN A 112 7.063 -5.833 -10.992 1.00 1.85 O ATOM 1827 ND2 ASN A 112 7.571 -4.533 -12.740 1.00 1.69 N ATOM 0 H ASN A 112 5.269 -4.258 -9.092 1.00 0.22 H new ATOM 0 HA ASN A 112 6.305 -2.358 -11.071 1.00 0.25 H new ATOM 0 HB2 ASN A 112 4.681 -4.914 -11.286 1.00 0.29 H new ATOM 0 HB3 ASN A 112 5.108 -3.908 -12.655 1.00 0.29 H new ATOM 0 HD21 ASN A 112 8.477 -4.984 -12.865 1.00 1.69 H new ATOM 0 HD22 ASN A 112 7.286 -3.778 -13.364 1.00 1.69 H new ATOM 1834 N THR A 113 4.168 -1.192 -11.689 1.00 0.29 N ATOM 1835 CA THR A 113 3.014 -0.317 -11.829 1.00 0.31 C ATOM 1836 C THR A 113 1.802 -1.073 -12.381 1.00 0.28 C ATOM 1837 O THR A 113 1.862 -1.660 -13.465 1.00 0.32 O ATOM 1838 CB THR A 113 3.330 0.864 -12.759 1.00 0.41 C ATOM 1839 OG1 THR A 113 4.536 1.517 -12.339 1.00 0.47 O ATOM 1840 CG2 THR A 113 2.182 1.858 -12.759 1.00 0.45 C ATOM 0 H THR A 113 4.953 -0.951 -12.295 1.00 0.29 H new ATOM 0 HA THR A 113 2.776 0.057 -10.833 1.00 0.31 H new ATOM 0 HB THR A 113 3.466 0.480 -13.770 1.00 0.41 H new ATOM 0 HG1 THR A 113 4.728 2.267 -12.940 1.00 0.47 H new ATOM 0 HG21 THR A 113 2.420 2.689 -13.422 1.00 0.45 H new ATOM 0 HG22 THR A 113 1.274 1.365 -13.107 1.00 0.45 H new ATOM 0 HG23 THR A 113 2.026 2.234 -11.748 1.00 0.45 H new ATOM 1848 N GLY A 114 0.713 -1.054 -11.623 1.00 0.26 N ATOM 1849 CA GLY A 114 -0.525 -1.681 -12.046 1.00 0.27 C ATOM 1850 C GLY A 114 -0.428 -3.190 -12.127 1.00 0.28 C ATOM 1851 O GLY A 114 -1.211 -3.835 -12.825 1.00 0.38 O ATOM 0 H GLY A 114 0.666 -0.607 -10.707 1.00 0.26 H new ATOM 0 HA2 GLY A 114 -1.319 -1.411 -11.350 1.00 0.27 H new ATOM 0 HA3 GLY A 114 -0.810 -1.288 -13.022 1.00 0.27 H new ATOM 1855 N GLU A 115 0.525 -3.755 -11.409 1.00 0.26 N ATOM 1856 CA GLU A 115 0.720 -5.192 -11.408 1.00 0.27 C ATOM 1857 C GLU A 115 0.534 -5.744 -10.008 1.00 0.24 C ATOM 1858 O GLU A 115 1.125 -5.240 -9.055 1.00 0.23 O ATOM 1859 CB GLU A 115 2.121 -5.530 -11.906 1.00 0.30 C ATOM 1860 CG GLU A 115 2.327 -7.010 -12.175 1.00 0.38 C ATOM 1861 CD GLU A 115 3.722 -7.324 -12.663 1.00 1.07 C ATOM 1862 OE1 GLU A 115 4.436 -8.087 -11.983 1.00 1.93 O ATOM 1863 OE2 GLU A 115 4.119 -6.794 -13.721 1.00 1.19 O ATOM 0 H GLU A 115 1.177 -3.239 -10.818 1.00 0.26 H new ATOM 0 HA GLU A 115 -0.017 -5.643 -12.072 1.00 0.27 H new ATOM 0 HB2 GLU A 115 2.317 -4.972 -12.821 1.00 0.30 H new ATOM 0 HB3 GLU A 115 2.851 -5.198 -11.167 1.00 0.30 H new ATOM 0 HG2 GLU A 115 2.131 -7.572 -11.262 1.00 0.38 H new ATOM 0 HG3 GLU A 115 1.603 -7.345 -12.917 1.00 0.38 H new ATOM 1870 N PRO A 116 -0.328 -6.755 -9.858 1.00 0.27 N ATOM 1871 CA PRO A 116 -0.476 -7.480 -8.600 1.00 0.26 C ATOM 1872 C PRO A 116 0.794 -8.238 -8.253 1.00 0.23 C ATOM 1873 O PRO A 116 1.181 -9.185 -8.943 1.00 0.27 O ATOM 1874 CB PRO A 116 -1.628 -8.451 -8.871 1.00 0.33 C ATOM 1875 CG PRO A 116 -2.322 -7.897 -10.066 1.00 0.68 C ATOM 1876 CD PRO A 116 -1.245 -7.258 -10.887 1.00 0.34 C ATOM 0 HA PRO A 116 -0.668 -6.817 -7.756 1.00 0.26 H new ATOM 0 HB2 PRO A 116 -1.259 -9.459 -9.060 1.00 0.33 H new ATOM 0 HB3 PRO A 116 -2.302 -8.513 -8.016 1.00 0.33 H new ATOM 0 HG2 PRO A 116 -2.829 -8.683 -10.626 1.00 0.68 H new ATOM 0 HG3 PRO A 116 -3.081 -7.170 -9.778 1.00 0.68 H new ATOM 0 HD2 PRO A 116 -0.760 -7.974 -11.550 1.00 0.34 H new ATOM 0 HD3 PRO A 116 -1.633 -6.455 -11.514 1.00 0.34 H new ATOM 1884 N PHE A 117 1.440 -7.809 -7.190 1.00 0.20 N ATOM 1885 CA PHE A 117 2.693 -8.399 -6.766 1.00 0.21 C ATOM 1886 C PHE A 117 2.513 -9.075 -5.414 1.00 0.21 C ATOM 1887 O PHE A 117 1.840 -8.546 -4.528 1.00 0.19 O ATOM 1888 CB PHE A 117 3.773 -7.317 -6.711 1.00 0.23 C ATOM 1889 CG PHE A 117 5.173 -7.829 -6.511 1.00 0.28 C ATOM 1890 CD1 PHE A 117 6.113 -7.045 -5.869 1.00 0.29 C ATOM 1891 CD2 PHE A 117 5.548 -9.086 -6.961 1.00 0.34 C ATOM 1892 CE1 PHE A 117 7.403 -7.500 -5.678 1.00 0.35 C ATOM 1893 CE2 PHE A 117 6.835 -9.547 -6.773 1.00 0.40 C ATOM 1894 CZ PHE A 117 7.763 -8.753 -6.130 1.00 0.41 C ATOM 0 H PHE A 117 1.114 -7.045 -6.598 1.00 0.20 H new ATOM 0 HA PHE A 117 3.007 -9.159 -7.481 1.00 0.21 H new ATOM 0 HB2 PHE A 117 3.740 -6.744 -7.638 1.00 0.23 H new ATOM 0 HB3 PHE A 117 3.535 -6.627 -5.901 1.00 0.23 H new ATOM 0 HD1 PHE A 117 5.835 -6.064 -5.512 1.00 0.29 H new ATOM 0 HD2 PHE A 117 4.825 -9.711 -7.464 1.00 0.34 H new ATOM 0 HE1 PHE A 117 8.128 -6.877 -5.176 1.00 0.35 H new ATOM 0 HE2 PHE A 117 7.116 -10.527 -7.128 1.00 0.40 H new ATOM 0 HZ PHE A 117 8.770 -9.112 -5.981 1.00 0.41 H new ATOM 1904 N VAL A 118 3.099 -10.254 -5.279 1.00 0.25 N ATOM 1905 CA VAL A 118 2.923 -11.087 -4.097 1.00 0.28 C ATOM 1906 C VAL A 118 3.393 -10.382 -2.816 1.00 0.26 C ATOM 1907 O VAL A 118 4.585 -10.151 -2.608 1.00 0.29 O ATOM 1908 CB VAL A 118 3.639 -12.449 -4.274 1.00 0.35 C ATOM 1909 CG1 VAL A 118 5.107 -12.268 -4.632 1.00 0.65 C ATOM 1910 CG2 VAL A 118 3.486 -13.306 -3.028 1.00 0.71 C ATOM 0 H VAL A 118 3.711 -10.662 -5.986 1.00 0.25 H new ATOM 0 HA VAL A 118 1.854 -11.269 -3.987 1.00 0.28 H new ATOM 0 HB VAL A 118 3.161 -12.966 -5.106 1.00 0.35 H new ATOM 0 HG11 VAL A 118 5.576 -13.245 -4.748 1.00 0.65 H new ATOM 0 HG12 VAL A 118 5.188 -11.713 -5.567 1.00 0.65 H new ATOM 0 HG13 VAL A 118 5.610 -11.716 -3.838 1.00 0.65 H new ATOM 0 HG21 VAL A 118 3.997 -14.257 -3.176 1.00 0.71 H new ATOM 0 HG22 VAL A 118 3.923 -12.788 -2.174 1.00 0.71 H new ATOM 0 HG23 VAL A 118 2.428 -13.488 -2.839 1.00 0.71 H new ATOM 1920 N VAL A 119 2.427 -10.031 -1.973 1.00 0.23 N ATOM 1921 CA VAL A 119 2.693 -9.348 -0.710 1.00 0.22 C ATOM 1922 C VAL A 119 2.389 -10.265 0.475 1.00 0.23 C ATOM 1923 O VAL A 119 2.823 -10.019 1.601 1.00 0.23 O ATOM 1924 CB VAL A 119 1.839 -8.061 -0.599 1.00 0.21 C ATOM 1925 CG1 VAL A 119 0.355 -8.382 -0.669 1.00 0.21 C ATOM 1926 CG2 VAL A 119 2.157 -7.307 0.678 1.00 0.22 C ATOM 0 H VAL A 119 1.438 -10.212 -2.145 1.00 0.23 H new ATOM 0 HA VAL A 119 3.749 -9.080 -0.689 1.00 0.22 H new ATOM 0 HB VAL A 119 2.091 -7.423 -1.446 1.00 0.21 H new ATOM 0 HG11 VAL A 119 -0.221 -7.460 -0.589 1.00 0.21 H new ATOM 0 HG12 VAL A 119 0.132 -8.867 -1.619 1.00 0.21 H new ATOM 0 HG13 VAL A 119 0.088 -9.049 0.151 1.00 0.21 H new ATOM 0 HG21 VAL A 119 1.544 -6.407 0.732 1.00 0.22 H new ATOM 0 HG22 VAL A 119 1.945 -7.942 1.538 1.00 0.22 H new ATOM 0 HG23 VAL A 119 3.211 -7.029 0.683 1.00 0.22 H new ATOM 1936 N GLN A 120 1.660 -11.338 0.199 1.00 0.27 N ATOM 1937 CA GLN A 120 1.203 -12.252 1.240 1.00 0.33 C ATOM 1938 C GLN A 120 2.358 -12.784 2.082 1.00 0.45 C ATOM 1939 O GLN A 120 2.247 -12.901 3.301 1.00 1.35 O ATOM 1940 CB GLN A 120 0.441 -13.427 0.623 1.00 0.32 C ATOM 1941 CG GLN A 120 1.239 -14.197 -0.412 1.00 0.37 C ATOM 1942 CD GLN A 120 0.507 -15.413 -0.934 1.00 0.45 C ATOM 1943 OE1 GLN A 120 -0.722 -15.437 -0.986 1.00 1.23 O ATOM 1944 NE2 GLN A 120 1.254 -16.424 -1.335 1.00 1.21 N ATOM 0 H GLN A 120 1.370 -11.599 -0.744 1.00 0.27 H new ATOM 0 HA GLN A 120 0.540 -11.685 1.894 1.00 0.33 H new ATOM 0 HB2 GLN A 120 0.139 -14.110 1.417 1.00 0.32 H new ATOM 0 HB3 GLN A 120 -0.472 -13.053 0.160 1.00 0.32 H new ATOM 0 HG2 GLN A 120 1.476 -13.536 -1.246 1.00 0.37 H new ATOM 0 HG3 GLN A 120 2.187 -14.510 0.026 1.00 0.37 H new ATOM 0 HE21 GLN A 120 2.270 -16.363 -1.275 1.00 1.21 H new ATOM 0 HE22 GLN A 120 0.815 -17.267 -1.706 1.00 1.21 H new ATOM 1953 N ASP A 121 3.460 -13.107 1.430 1.00 0.72 N ATOM 1954 CA ASP A 121 4.595 -13.688 2.117 1.00 0.76 C ATOM 1955 C ASP A 121 5.830 -12.832 1.897 1.00 0.65 C ATOM 1956 O ASP A 121 6.805 -13.258 1.279 1.00 0.96 O ATOM 1957 CB ASP A 121 4.833 -15.123 1.638 1.00 0.96 C ATOM 1958 CG ASP A 121 5.859 -15.860 2.482 1.00 1.47 C ATOM 1959 OD1 ASP A 121 6.924 -16.237 1.948 1.00 1.55 O ATOM 1960 OD2 ASP A 121 5.601 -16.076 3.687 1.00 2.35 O ATOM 0 H ASP A 121 3.592 -12.976 0.427 1.00 0.72 H new ATOM 0 HA ASP A 121 4.383 -13.720 3.186 1.00 0.76 H new ATOM 0 HB2 ASP A 121 3.890 -15.670 1.660 1.00 0.96 H new ATOM 0 HB3 ASP A 121 5.167 -15.105 0.601 1.00 0.96 H new ATOM 1965 N ILE A 122 5.761 -11.596 2.359 1.00 0.37 N ATOM 1966 CA ILE A 122 6.919 -10.726 2.344 1.00 0.29 C ATOM 1967 C ILE A 122 7.558 -10.706 3.723 1.00 0.24 C ATOM 1968 O ILE A 122 6.984 -11.200 4.692 1.00 0.32 O ATOM 1969 CB ILE A 122 6.578 -9.272 1.926 1.00 0.29 C ATOM 1970 CG1 ILE A 122 5.592 -8.628 2.902 1.00 0.26 C ATOM 1971 CG2 ILE A 122 6.018 -9.233 0.514 1.00 0.36 C ATOM 1972 CD1 ILE A 122 5.401 -7.142 2.675 1.00 0.31 C ATOM 0 H ILE A 122 4.917 -11.175 2.748 1.00 0.37 H new ATOM 0 HA ILE A 122 7.607 -11.128 1.600 1.00 0.29 H new ATOM 0 HB ILE A 122 7.505 -8.699 1.951 1.00 0.29 H new ATOM 0 HG12 ILE A 122 4.627 -9.128 2.814 1.00 0.26 H new ATOM 0 HG13 ILE A 122 5.944 -8.790 3.921 1.00 0.26 H new ATOM 0 HG21 ILE A 122 5.786 -8.203 0.243 1.00 0.36 H new ATOM 0 HG22 ILE A 122 6.756 -9.634 -0.181 1.00 0.36 H new ATOM 0 HG23 ILE A 122 5.110 -9.834 0.466 1.00 0.36 H new ATOM 0 HD11 ILE A 122 4.689 -6.751 3.402 1.00 0.31 H new ATOM 0 HD12 ILE A 122 6.356 -6.630 2.791 1.00 0.31 H new ATOM 0 HD13 ILE A 122 5.020 -6.974 1.668 1.00 0.31 H new ATOM 1984 N ASP A 123 8.754 -10.167 3.802 1.00 0.23 N ATOM 1985 CA ASP A 123 9.418 -9.950 5.074 1.00 0.25 C ATOM 1986 C ASP A 123 9.114 -8.551 5.559 1.00 0.25 C ATOM 1987 O ASP A 123 8.829 -8.325 6.735 1.00 0.29 O ATOM 1988 CB ASP A 123 10.928 -10.125 4.934 1.00 0.26 C ATOM 1989 CG ASP A 123 11.351 -11.579 4.883 1.00 0.32 C ATOM 1990 OD1 ASP A 123 10.961 -12.285 3.928 1.00 0.30 O ATOM 1991 OD2 ASP A 123 12.082 -12.024 5.790 1.00 0.50 O ATOM 0 H ASP A 123 9.295 -9.867 2.991 1.00 0.23 H new ATOM 0 HA ASP A 123 9.051 -10.684 5.792 1.00 0.25 H new ATOM 0 HB2 ASP A 123 11.264 -9.622 4.027 1.00 0.26 H new ATOM 0 HB3 ASP A 123 11.425 -9.637 5.772 1.00 0.26 H new ATOM 1996 N ALA A 124 9.183 -7.609 4.639 1.00 0.21 N ATOM 1997 CA ALA A 124 8.910 -6.224 4.949 1.00 0.21 C ATOM 1998 C ALA A 124 8.538 -5.456 3.688 1.00 0.19 C ATOM 1999 O ALA A 124 8.819 -5.898 2.579 1.00 0.19 O ATOM 2000 CB ALA A 124 10.129 -5.604 5.615 1.00 0.22 C ATOM 0 H ALA A 124 9.428 -7.782 3.664 1.00 0.21 H new ATOM 0 HA ALA A 124 8.064 -6.172 5.635 1.00 0.21 H new ATOM 0 HB1 ALA A 124 9.924 -4.559 5.849 1.00 0.22 H new ATOM 0 HB2 ALA A 124 10.356 -6.144 6.534 1.00 0.22 H new ATOM 0 HB3 ALA A 124 10.982 -5.664 4.940 1.00 0.22 H new ATOM 2006 N MET A 125 7.880 -4.327 3.872 1.00 0.19 N ATOM 2007 CA MET A 125 7.637 -3.387 2.787 1.00 0.16 C ATOM 2008 C MET A 125 8.044 -1.979 3.238 1.00 0.16 C ATOM 2009 O MET A 125 8.069 -1.691 4.433 1.00 0.18 O ATOM 2010 CB MET A 125 6.168 -3.387 2.307 1.00 0.24 C ATOM 2011 CG MET A 125 5.850 -2.110 1.539 1.00 0.31 C ATOM 2012 SD MET A 125 4.453 -2.108 0.436 1.00 1.16 S ATOM 2013 CE MET A 125 4.454 -0.365 0.035 1.00 0.73 C ATOM 0 H MET A 125 7.499 -4.034 4.772 1.00 0.19 H new ATOM 0 HA MET A 125 8.241 -3.705 1.937 1.00 0.16 H new ATOM 0 HB2 MET A 125 5.989 -4.254 1.671 1.00 0.24 H new ATOM 0 HB3 MET A 125 5.501 -3.477 3.164 1.00 0.24 H new ATOM 0 HG2 MET A 125 5.698 -1.314 2.268 1.00 0.31 H new ATOM 0 HG3 MET A 125 6.732 -1.845 0.957 1.00 0.31 H new ATOM 0 HE1 MET A 125 3.499 -0.095 -0.415 1.00 0.73 H new ATOM 0 HE2 MET A 125 4.605 0.217 0.944 1.00 0.73 H new ATOM 0 HE3 MET A 125 5.259 -0.154 -0.669 1.00 0.73 H new ATOM 2023 N SER A 126 8.398 -1.124 2.286 1.00 0.16 N ATOM 2024 CA SER A 126 8.723 0.268 2.573 1.00 0.18 C ATOM 2025 C SER A 126 8.425 1.135 1.356 1.00 0.22 C ATOM 2026 O SER A 126 8.395 0.640 0.225 1.00 0.29 O ATOM 2027 CB SER A 126 10.187 0.407 2.976 1.00 0.24 C ATOM 2028 OG SER A 126 10.457 -0.319 4.164 1.00 1.22 O ATOM 0 H SER A 126 8.468 -1.374 1.299 1.00 0.16 H new ATOM 0 HA SER A 126 8.106 0.604 3.406 1.00 0.18 H new ATOM 0 HB2 SER A 126 10.826 0.045 2.171 1.00 0.24 H new ATOM 0 HB3 SER A 126 10.429 1.459 3.125 1.00 0.24 H new ATOM 0 HG SER A 126 10.787 -1.213 3.933 1.00 1.22 H new ATOM 2034 N VAL A 127 8.193 2.419 1.590 1.00 0.21 N ATOM 2035 CA VAL A 127 7.846 3.344 0.521 1.00 0.23 C ATOM 2036 C VAL A 127 8.853 4.484 0.465 1.00 0.22 C ATOM 2037 O VAL A 127 8.889 5.323 1.367 1.00 0.19 O ATOM 2038 CB VAL A 127 6.440 3.947 0.738 1.00 0.23 C ATOM 2039 CG1 VAL A 127 5.928 4.593 -0.538 1.00 0.27 C ATOM 2040 CG2 VAL A 127 5.465 2.898 1.249 1.00 0.26 C ATOM 0 H VAL A 127 8.239 2.845 2.516 1.00 0.21 H new ATOM 0 HA VAL A 127 7.857 2.782 -0.413 1.00 0.23 H new ATOM 0 HB VAL A 127 6.521 4.722 1.500 1.00 0.23 H new ATOM 0 HG11 VAL A 127 4.937 5.011 -0.362 1.00 0.27 H new ATOM 0 HG12 VAL A 127 6.608 5.389 -0.841 1.00 0.27 H new ATOM 0 HG13 VAL A 127 5.871 3.844 -1.328 1.00 0.27 H new ATOM 0 HG21 VAL A 127 4.484 3.352 1.392 1.00 0.26 H new ATOM 0 HG22 VAL A 127 5.388 2.089 0.523 1.00 0.26 H new ATOM 0 HG23 VAL A 127 5.823 2.500 2.199 1.00 0.26 H new ATOM 2050 N LEU A 128 9.678 4.517 -0.576 1.00 0.28 N ATOM 2051 CA LEU A 128 10.662 5.590 -0.707 1.00 0.32 C ATOM 2052 C LEU A 128 10.202 6.587 -1.769 1.00 0.33 C ATOM 2053 O LEU A 128 9.727 6.187 -2.833 1.00 0.38 O ATOM 2054 CB LEU A 128 12.058 5.074 -1.100 1.00 0.43 C ATOM 2055 CG LEU A 128 12.697 3.946 -0.260 1.00 0.21 C ATOM 2056 CD1 LEU A 128 12.114 3.832 1.147 1.00 0.34 C ATOM 2057 CD2 LEU A 128 12.596 2.621 -0.993 1.00 0.42 C ATOM 0 H LEU A 128 9.688 3.829 -1.329 1.00 0.28 H new ATOM 0 HA LEU A 128 10.739 6.064 0.272 1.00 0.32 H new ATOM 0 HB2 LEU A 128 12.003 4.727 -2.132 1.00 0.43 H new ATOM 0 HB3 LEU A 128 12.740 5.924 -1.085 1.00 0.43 H new ATOM 0 HG LEU A 128 13.746 4.211 -0.132 1.00 0.21 H new ATOM 0 HD11 LEU A 128 12.608 3.020 1.681 1.00 0.34 H new ATOM 0 HD12 LEU A 128 12.272 4.768 1.683 1.00 0.34 H new ATOM 0 HD13 LEU A 128 11.046 3.626 1.083 1.00 0.34 H new ATOM 0 HD21 LEU A 128 13.050 1.836 -0.389 1.00 0.42 H new ATOM 0 HD22 LEU A 128 11.547 2.382 -1.170 1.00 0.42 H new ATOM 0 HD23 LEU A 128 13.118 2.692 -1.947 1.00 0.42 H new ATOM 2069 N PRO A 129 10.333 7.895 -1.501 1.00 0.35 N ATOM 2070 CA PRO A 129 9.978 8.934 -2.466 1.00 0.40 C ATOM 2071 C PRO A 129 11.064 9.146 -3.516 1.00 0.56 C ATOM 2072 O PRO A 129 12.197 9.481 -3.177 1.00 0.91 O ATOM 2073 CB PRO A 129 9.840 10.177 -1.600 1.00 0.47 C ATOM 2074 CG PRO A 129 10.782 9.951 -0.465 1.00 0.52 C ATOM 2075 CD PRO A 129 10.826 8.460 -0.235 1.00 0.41 C ATOM 0 HA PRO A 129 9.080 8.679 -3.028 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.098 11.078 -2.156 1.00 0.47 H new ATOM 0 HB3 PRO A 129 8.816 10.303 -1.247 1.00 0.47 H new ATOM 0 HG2 PRO A 129 11.774 10.336 -0.701 1.00 0.52 H new ATOM 0 HG3 PRO A 129 10.443 10.472 0.430 1.00 0.52 H new ATOM 0 HD2 PRO A 129 11.837 8.119 -0.012 1.00 0.41 H new ATOM 0 HD3 PRO A 129 10.198 8.166 0.606 1.00 0.41 H new ATOM 2083 N LYS A 130 10.682 8.984 -4.783 1.00 0.43 N ATOM 2084 CA LYS A 130 11.591 9.126 -5.933 1.00 0.53 C ATOM 2085 C LYS A 130 12.845 8.256 -5.815 1.00 0.47 C ATOM 2086 O LYS A 130 12.942 7.210 -6.460 1.00 0.81 O ATOM 2087 CB LYS A 130 11.980 10.582 -6.169 1.00 0.74 C ATOM 2088 CG LYS A 130 10.992 11.320 -7.057 1.00 0.83 C ATOM 2089 CD LYS A 130 10.350 12.486 -6.338 1.00 1.76 C ATOM 2090 CE LYS A 130 9.578 12.033 -5.113 1.00 2.10 C ATOM 2091 NZ LYS A 130 8.993 13.179 -4.378 1.00 3.29 N ATOM 0 H LYS A 130 9.726 8.748 -5.048 1.00 0.43 H new ATOM 0 HA LYS A 130 11.030 8.770 -6.797 1.00 0.53 H new ATOM 0 HB2 LYS A 130 12.052 11.094 -5.209 1.00 0.74 H new ATOM 0 HB3 LYS A 130 12.969 10.619 -6.625 1.00 0.74 H new ATOM 0 HG2 LYS A 130 11.505 11.681 -7.949 1.00 0.83 H new ATOM 0 HG3 LYS A 130 10.218 10.629 -7.392 1.00 0.83 H new ATOM 0 HD2 LYS A 130 11.119 13.198 -6.040 1.00 1.76 H new ATOM 0 HD3 LYS A 130 9.678 13.008 -7.019 1.00 1.76 H new ATOM 0 HE2 LYS A 130 8.783 11.351 -5.416 1.00 2.10 H new ATOM 0 HE3 LYS A 130 10.241 11.476 -4.451 1.00 2.10 H new ATOM 0 HZ1 LYS A 130 8.473 12.830 -3.548 1.00 3.29 H new ATOM 0 HZ2 LYS A 130 9.753 13.817 -4.068 1.00 3.29 H new ATOM 0 HZ3 LYS A 130 8.341 13.696 -5.002 1.00 3.29 H new ATOM 2105 N GLY A 131 13.807 8.705 -5.016 1.00 0.43 N ATOM 2106 CA GLY A 131 15.027 7.957 -4.812 1.00 0.39 C ATOM 2107 C GLY A 131 14.792 6.687 -4.022 1.00 0.33 C ATOM 2108 O GLY A 131 14.852 6.683 -2.793 1.00 0.44 O ATOM 0 H GLY A 131 13.759 9.585 -4.502 1.00 0.43 H new ATOM 0 HA2 GLY A 131 15.464 7.706 -5.779 1.00 0.39 H new ATOM 0 HA3 GLY A 131 15.751 8.581 -4.287 1.00 0.39 H new ATOM 2112 N SER A 132 14.520 5.610 -4.736 1.00 0.31 N ATOM 2113 CA SER A 132 14.267 4.314 -4.132 1.00 0.36 C ATOM 2114 C SER A 132 15.578 3.631 -3.767 1.00 0.39 C ATOM 2115 O SER A 132 15.584 2.548 -3.181 1.00 0.44 O ATOM 2116 CB SER A 132 13.478 3.437 -5.096 1.00 0.49 C ATOM 2117 OG SER A 132 12.405 4.157 -5.677 1.00 1.23 O ATOM 0 H SER A 132 14.468 5.609 -5.755 1.00 0.31 H new ATOM 0 HA SER A 132 13.685 4.462 -3.222 1.00 0.36 H new ATOM 0 HB2 SER A 132 14.139 3.067 -5.880 1.00 0.49 H new ATOM 0 HB3 SER A 132 13.092 2.566 -4.567 1.00 0.49 H new ATOM 0 HG SER A 132 12.014 3.631 -6.406 1.00 1.23 H new ATOM 2123 N SER A 133 16.681 4.275 -4.136 1.00 0.40 N ATOM 2124 CA SER A 133 18.013 3.701 -4.014 1.00 0.48 C ATOM 2125 C SER A 133 18.331 3.260 -2.584 1.00 0.45 C ATOM 2126 O SER A 133 19.225 2.441 -2.377 1.00 0.51 O ATOM 2127 CB SER A 133 19.044 4.716 -4.487 1.00 0.58 C ATOM 2128 OG SER A 133 18.569 5.426 -5.621 1.00 1.30 O ATOM 0 H SER A 133 16.674 5.216 -4.530 1.00 0.40 H new ATOM 0 HA SER A 133 18.048 2.808 -4.638 1.00 0.48 H new ATOM 0 HB2 SER A 133 19.268 5.416 -3.682 1.00 0.58 H new ATOM 0 HB3 SER A 133 19.975 4.207 -4.735 1.00 0.58 H new ATOM 0 HG SER A 133 19.246 6.074 -5.908 1.00 1.30 H new ATOM 2134 N SER A 134 17.597 3.798 -1.609 1.00 0.40 N ATOM 2135 CA SER A 134 17.715 3.364 -0.222 1.00 0.39 C ATOM 2136 C SER A 134 17.599 1.846 -0.119 1.00 0.34 C ATOM 2137 O SER A 134 18.370 1.193 0.584 1.00 0.39 O ATOM 2138 CB SER A 134 16.616 4.015 0.622 1.00 0.39 C ATOM 2139 OG SER A 134 16.629 5.426 0.482 1.00 0.44 O ATOM 0 H SER A 134 16.912 4.539 -1.759 1.00 0.40 H new ATOM 0 HA SER A 134 18.693 3.668 0.150 1.00 0.39 H new ATOM 0 HB2 SER A 134 15.644 3.626 0.320 1.00 0.39 H new ATOM 0 HB3 SER A 134 16.754 3.750 1.670 1.00 0.39 H new ATOM 0 HG SER A 134 16.214 5.837 1.269 1.00 0.44 H new ATOM 2145 N LEU A 135 16.627 1.300 -0.834 1.00 0.28 N ATOM 2146 CA LEU A 135 16.338 -0.120 -0.781 1.00 0.26 C ATOM 2147 C LEU A 135 16.536 -0.788 -2.140 1.00 0.28 C ATOM 2148 O LEU A 135 16.053 -1.890 -2.374 1.00 0.37 O ATOM 2149 CB LEU A 135 14.906 -0.301 -0.281 1.00 0.24 C ATOM 2150 CG LEU A 135 14.667 0.218 1.140 1.00 0.24 C ATOM 2151 CD1 LEU A 135 13.208 0.089 1.524 1.00 0.25 C ATOM 2152 CD2 LEU A 135 15.538 -0.528 2.125 1.00 0.29 C ATOM 0 H LEU A 135 16.021 1.827 -1.463 1.00 0.28 H new ATOM 0 HA LEU A 135 17.034 -0.604 -0.096 1.00 0.26 H new ATOM 0 HB2 LEU A 135 14.228 0.213 -0.962 1.00 0.24 H new ATOM 0 HB3 LEU A 135 14.652 -1.360 -0.316 1.00 0.24 H new ATOM 0 HG LEU A 135 14.933 1.275 1.166 1.00 0.24 H new ATOM 0 HD11 LEU A 135 13.064 0.464 2.537 1.00 0.25 H new ATOM 0 HD12 LEU A 135 12.597 0.669 0.832 1.00 0.25 H new ATOM 0 HD13 LEU A 135 12.911 -0.959 1.479 1.00 0.25 H new ATOM 0 HD21 LEU A 135 15.357 -0.148 3.131 1.00 0.29 H new ATOM 0 HD22 LEU A 135 15.299 -1.591 2.090 1.00 0.29 H new ATOM 0 HD23 LEU A 135 16.587 -0.383 1.866 1.00 0.29 H new ATOM 2164 N LYS A 136 17.254 -0.125 -3.036 1.00 0.30 N ATOM 2165 CA LYS A 136 17.469 -0.660 -4.371 1.00 0.35 C ATOM 2166 C LYS A 136 18.850 -1.295 -4.478 1.00 0.37 C ATOM 2167 O LYS A 136 19.797 -0.665 -4.953 1.00 0.42 O ATOM 2168 CB LYS A 136 17.325 0.439 -5.425 1.00 0.40 C ATOM 2169 CG LYS A 136 17.346 -0.090 -6.849 1.00 0.46 C ATOM 2170 CD LYS A 136 17.396 1.034 -7.873 1.00 0.57 C ATOM 2171 CE LYS A 136 16.157 1.912 -7.816 1.00 0.98 C ATOM 2172 NZ LYS A 136 16.165 2.957 -8.873 1.00 1.66 N ATOM 0 H LYS A 136 17.695 0.779 -2.863 1.00 0.30 H new ATOM 0 HA LYS A 136 16.712 -1.423 -4.552 1.00 0.35 H new ATOM 0 HB2 LYS A 136 16.390 0.974 -5.257 1.00 0.40 H new ATOM 0 HB3 LYS A 136 18.132 1.161 -5.301 1.00 0.40 H new ATOM 0 HG2 LYS A 136 18.211 -0.740 -6.982 1.00 0.46 H new ATOM 0 HG3 LYS A 136 16.459 -0.700 -7.023 1.00 0.46 H new ATOM 0 HD2 LYS A 136 18.282 1.645 -7.698 1.00 0.57 H new ATOM 0 HD3 LYS A 136 17.494 0.610 -8.872 1.00 0.57 H new ATOM 0 HE2 LYS A 136 15.268 1.291 -7.927 1.00 0.98 H new ATOM 0 HE3 LYS A 136 16.094 2.387 -6.837 1.00 0.98 H new ATOM 0 HZ1 LYS A 136 15.302 3.533 -8.798 1.00 1.66 H new ATOM 0 HZ2 LYS A 136 17.000 3.566 -8.753 1.00 1.66 H new ATOM 0 HZ3 LYS A 136 16.199 2.504 -9.809 1.00 1.66 H new ATOM 2186 N VAL A 137 18.973 -2.529 -4.018 1.00 0.37 N ATOM 2187 CA VAL A 137 20.228 -3.244 -4.103 1.00 0.42 C ATOM 2188 C VAL A 137 19.953 -4.709 -4.459 1.00 0.46 C ATOM 2189 O VAL A 137 18.799 -5.129 -4.465 1.00 0.51 O ATOM 2190 CB VAL A 137 21.015 -3.096 -2.775 1.00 0.41 C ATOM 2191 CG1 VAL A 137 20.168 -3.546 -1.604 1.00 0.34 C ATOM 2192 CG2 VAL A 137 22.339 -3.842 -2.798 1.00 0.51 C ATOM 0 H VAL A 137 18.215 -3.054 -3.582 1.00 0.37 H new ATOM 0 HA VAL A 137 20.851 -2.821 -4.891 1.00 0.42 H new ATOM 0 HB VAL A 137 21.250 -2.038 -2.658 1.00 0.41 H new ATOM 0 HG11 VAL A 137 20.736 -3.435 -0.680 1.00 0.34 H new ATOM 0 HG12 VAL A 137 19.267 -2.935 -1.551 1.00 0.34 H new ATOM 0 HG13 VAL A 137 19.891 -4.592 -1.736 1.00 0.34 H new ATOM 0 HG21 VAL A 137 22.850 -3.706 -1.845 1.00 0.51 H new ATOM 0 HG22 VAL A 137 22.156 -4.904 -2.963 1.00 0.51 H new ATOM 0 HG23 VAL A 137 22.962 -3.452 -3.603 1.00 0.51 H new ATOM 2202 N LYS A 138 20.993 -5.461 -4.789 1.00 0.50 N ATOM 2203 CA LYS A 138 20.852 -6.861 -5.196 1.00 0.57 C ATOM 2204 C LYS A 138 20.109 -7.649 -4.133 1.00 0.47 C ATOM 2205 O LYS A 138 19.088 -8.287 -4.391 1.00 0.53 O ATOM 2206 CB LYS A 138 22.227 -7.491 -5.391 1.00 0.69 C ATOM 2207 CG LYS A 138 23.254 -6.520 -5.922 1.00 1.22 C ATOM 2208 CD LYS A 138 22.881 -6.016 -7.300 1.00 1.34 C ATOM 2209 CE LYS A 138 23.767 -4.862 -7.732 1.00 1.59 C ATOM 2210 NZ LYS A 138 23.342 -4.302 -9.042 1.00 2.06 N ATOM 0 H LYS A 138 21.956 -5.125 -4.784 1.00 0.50 H new ATOM 0 HA LYS A 138 20.293 -6.887 -6.131 1.00 0.57 H new ATOM 0 HB2 LYS A 138 22.574 -7.893 -4.439 1.00 0.69 H new ATOM 0 HB3 LYS A 138 22.140 -8.332 -6.080 1.00 0.69 H new ATOM 0 HG2 LYS A 138 23.347 -5.677 -5.238 1.00 1.22 H new ATOM 0 HG3 LYS A 138 24.229 -7.006 -5.963 1.00 1.22 H new ATOM 0 HD2 LYS A 138 22.965 -6.829 -8.021 1.00 1.34 H new ATOM 0 HD3 LYS A 138 21.839 -5.696 -7.301 1.00 1.34 H new ATOM 0 HE2 LYS A 138 23.739 -4.078 -6.975 1.00 1.59 H new ATOM 0 HE3 LYS A 138 24.800 -5.202 -7.800 1.00 1.59 H new ATOM 0 HZ1 LYS A 138 23.971 -3.516 -9.304 1.00 2.06 H new ATOM 0 HZ2 LYS A 138 23.393 -5.043 -9.770 1.00 2.06 H new ATOM 0 HZ3 LYS A 138 22.364 -3.954 -8.970 1.00 2.06 H new ATOM 2224 N THR A 139 20.636 -7.561 -2.931 1.00 0.37 N ATOM 2225 CA THR A 139 20.108 -8.290 -1.792 1.00 0.29 C ATOM 2226 C THR A 139 20.055 -7.386 -0.574 1.00 0.25 C ATOM 2227 O THR A 139 20.874 -6.476 -0.437 1.00 0.28 O ATOM 2228 CB THR A 139 20.948 -9.546 -1.481 1.00 0.31 C ATOM 2229 OG1 THR A 139 22.237 -9.446 -2.105 1.00 0.39 O ATOM 2230 CG2 THR A 139 20.237 -10.805 -1.954 1.00 0.39 C ATOM 0 H THR A 139 21.446 -6.980 -2.713 1.00 0.37 H new ATOM 0 HA THR A 139 19.100 -8.617 -2.045 1.00 0.29 H new ATOM 0 HB THR A 139 21.078 -9.610 -0.401 1.00 0.31 H new ATOM 0 HG1 THR A 139 22.763 -10.247 -1.900 1.00 0.39 H new ATOM 0 HG21 THR A 139 20.849 -11.677 -1.723 1.00 0.39 H new ATOM 0 HG22 THR A 139 19.276 -10.892 -1.447 1.00 0.39 H new ATOM 0 HG23 THR A 139 20.076 -10.749 -3.031 1.00 0.39 H new ATOM 2238 N MET A 140 19.101 -7.633 0.306 1.00 0.26 N ATOM 2239 CA MET A 140 18.845 -6.729 1.408 1.00 0.32 C ATOM 2240 C MET A 140 18.401 -7.457 2.675 1.00 0.34 C ATOM 2241 O MET A 140 17.863 -8.563 2.617 1.00 0.38 O ATOM 2242 CB MET A 140 17.782 -5.726 1.003 1.00 0.38 C ATOM 2243 CG MET A 140 18.340 -4.348 0.765 1.00 0.60 C ATOM 2244 SD MET A 140 17.202 -3.064 1.248 1.00 0.78 S ATOM 2245 CE MET A 140 17.121 -3.417 2.992 1.00 0.40 C ATOM 0 H MET A 140 18.493 -8.451 0.277 1.00 0.26 H new ATOM 0 HA MET A 140 19.783 -6.223 1.636 1.00 0.32 H new ATOM 0 HB2 MET A 140 17.287 -6.074 0.096 1.00 0.38 H new ATOM 0 HB3 MET A 140 17.021 -5.675 1.782 1.00 0.38 H new ATOM 0 HG2 MET A 140 19.270 -4.234 1.322 1.00 0.60 H new ATOM 0 HG3 MET A 140 18.585 -4.235 -0.291 1.00 0.60 H new ATOM 0 HE1 MET A 140 17.001 -2.486 3.546 1.00 0.40 H new ATOM 0 HE2 MET A 140 16.272 -4.070 3.192 1.00 0.40 H new ATOM 0 HE3 MET A 140 18.040 -3.911 3.306 1.00 0.40 H new ATOM 2255 N ALA A 141 18.651 -6.825 3.817 1.00 0.34 N ATOM 2256 CA ALA A 141 18.217 -7.336 5.114 1.00 0.38 C ATOM 2257 C ALA A 141 16.820 -6.827 5.463 1.00 0.34 C ATOM 2258 O ALA A 141 16.467 -5.689 5.153 1.00 0.36 O ATOM 2259 CB ALA A 141 19.205 -6.904 6.186 1.00 0.44 C ATOM 0 H ALA A 141 19.161 -5.943 3.870 1.00 0.34 H new ATOM 0 HA ALA A 141 18.181 -8.424 5.063 1.00 0.38 H new ATOM 0 HB1 ALA A 141 18.881 -7.285 7.154 1.00 0.44 H new ATOM 0 HB2 ALA A 141 20.193 -7.301 5.952 1.00 0.44 H new ATOM 0 HB3 ALA A 141 19.250 -5.816 6.222 1.00 0.44 H new ATOM 2265 N LYS A 142 16.042 -7.675 6.133 1.00 0.32 N ATOM 2266 CA LYS A 142 14.693 -7.325 6.576 1.00 0.30 C ATOM 2267 C LYS A 142 14.745 -6.251 7.653 1.00 0.26 C ATOM 2268 O LYS A 142 13.858 -5.403 7.749 1.00 0.24 O ATOM 2269 CB LYS A 142 13.973 -8.573 7.106 1.00 0.33 C ATOM 2270 CG LYS A 142 12.651 -8.289 7.806 1.00 0.32 C ATOM 2271 CD LYS A 142 12.004 -9.570 8.319 1.00 0.38 C ATOM 2272 CE LYS A 142 10.719 -9.293 9.078 1.00 0.49 C ATOM 2273 NZ LYS A 142 10.965 -8.810 10.463 1.00 1.11 N ATOM 0 H LYS A 142 16.328 -8.622 6.384 1.00 0.32 H new ATOM 0 HA LYS A 142 14.139 -6.931 5.724 1.00 0.30 H new ATOM 0 HB2 LYS A 142 13.790 -9.253 6.274 1.00 0.33 H new ATOM 0 HB3 LYS A 142 14.634 -9.091 7.801 1.00 0.33 H new ATOM 0 HG2 LYS A 142 12.818 -7.606 8.639 1.00 0.32 H new ATOM 0 HG3 LYS A 142 11.972 -7.789 7.115 1.00 0.32 H new ATOM 0 HD2 LYS A 142 11.793 -10.232 7.479 1.00 0.38 H new ATOM 0 HD3 LYS A 142 12.704 -10.094 8.970 1.00 0.38 H new ATOM 0 HE2 LYS A 142 10.135 -8.549 8.536 1.00 0.49 H new ATOM 0 HE3 LYS A 142 10.120 -10.203 9.116 1.00 0.49 H new ATOM 0 HZ1 LYS A 142 10.111 -8.956 11.038 1.00 1.11 H new ATOM 0 HZ2 LYS A 142 11.758 -9.339 10.879 1.00 1.11 H new ATOM 0 HZ3 LYS A 142 11.198 -7.797 10.441 1.00 1.11 H new ATOM 2287 N ASP A 143 15.807 -6.283 8.438 1.00 0.29 N ATOM 2288 CA ASP A 143 15.995 -5.345 9.533 1.00 0.31 C ATOM 2289 C ASP A 143 16.346 -3.971 8.989 1.00 0.28 C ATOM 2290 O ASP A 143 15.882 -2.941 9.489 1.00 0.29 O ATOM 2291 CB ASP A 143 17.102 -5.854 10.457 1.00 0.37 C ATOM 2292 CG ASP A 143 17.573 -4.805 11.441 1.00 0.49 C ATOM 2293 OD1 ASP A 143 16.832 -4.509 12.404 1.00 0.66 O ATOM 2294 OD2 ASP A 143 18.691 -4.276 11.256 1.00 0.52 O ATOM 0 H ASP A 143 16.564 -6.959 8.335 1.00 0.29 H new ATOM 0 HA ASP A 143 15.069 -5.263 10.102 1.00 0.31 H new ATOM 0 HB2 ASP A 143 16.740 -6.724 11.005 1.00 0.37 H new ATOM 0 HB3 ASP A 143 17.948 -6.186 9.855 1.00 0.37 H new ATOM 2299 N MET A 144 17.153 -3.972 7.943 1.00 0.29 N ATOM 2300 CA MET A 144 17.563 -2.749 7.282 1.00 0.30 C ATOM 2301 C MET A 144 16.415 -2.154 6.486 1.00 0.24 C ATOM 2302 O MET A 144 16.235 -0.942 6.467 1.00 0.25 O ATOM 2303 CB MET A 144 18.736 -3.027 6.349 1.00 0.35 C ATOM 2304 CG MET A 144 19.038 -1.880 5.392 1.00 0.36 C ATOM 2305 SD MET A 144 20.208 -2.341 4.100 1.00 0.48 S ATOM 2306 CE MET A 144 20.080 -0.930 3.002 1.00 0.43 C ATOM 0 H MET A 144 17.541 -4.820 7.530 1.00 0.29 H new ATOM 0 HA MET A 144 17.866 -2.035 8.048 1.00 0.30 H new ATOM 0 HB2 MET A 144 19.624 -3.234 6.947 1.00 0.35 H new ATOM 0 HB3 MET A 144 18.524 -3.926 5.770 1.00 0.35 H new ATOM 0 HG2 MET A 144 18.109 -1.542 4.932 1.00 0.36 H new ATOM 0 HG3 MET A 144 19.439 -1.038 5.956 1.00 0.36 H new ATOM 0 HE1 MET A 144 20.868 -0.981 2.251 1.00 0.43 H new ATOM 0 HE2 MET A 144 19.108 -0.939 2.509 1.00 0.43 H new ATOM 0 HE3 MET A 144 20.186 -0.010 3.577 1.00 0.43 H new ATOM 2316 N PHE A 145 15.644 -3.020 5.835 1.00 0.21 N ATOM 2317 CA PHE A 145 14.573 -2.589 4.939 1.00 0.17 C ATOM 2318 C PHE A 145 13.641 -1.611 5.637 1.00 0.15 C ATOM 2319 O PHE A 145 13.443 -0.487 5.177 1.00 0.16 O ATOM 2320 CB PHE A 145 13.789 -3.801 4.449 1.00 0.19 C ATOM 2321 CG PHE A 145 13.031 -3.538 3.185 1.00 0.17 C ATOM 2322 CD1 PHE A 145 11.673 -3.275 3.227 1.00 0.24 C ATOM 2323 CD2 PHE A 145 13.669 -3.550 1.963 1.00 0.18 C ATOM 2324 CE1 PHE A 145 10.968 -3.028 2.072 1.00 0.30 C ATOM 2325 CE2 PHE A 145 12.966 -3.305 0.804 1.00 0.23 C ATOM 2326 CZ PHE A 145 11.644 -3.056 0.839 1.00 0.29 C ATOM 0 H PHE A 145 15.742 -4.032 5.912 1.00 0.21 H new ATOM 0 HA PHE A 145 15.021 -2.081 4.085 1.00 0.17 H new ATOM 0 HB2 PHE A 145 14.477 -4.630 4.287 1.00 0.19 H new ATOM 0 HB3 PHE A 145 13.091 -4.113 5.226 1.00 0.19 H new ATOM 0 HD1 PHE A 145 11.161 -3.264 4.178 1.00 0.24 H new ATOM 0 HD2 PHE A 145 14.729 -3.753 1.914 1.00 0.18 H new ATOM 0 HE1 PHE A 145 9.910 -2.815 2.111 1.00 0.30 H new ATOM 0 HE2 PHE A 145 13.482 -3.313 -0.145 1.00 0.23 H new ATOM 0 HZ PHE A 145 11.103 -2.878 -0.079 1.00 0.29 H new ATOM 2336 N VAL A 146 13.099 -2.039 6.765 1.00 0.15 N ATOM 2337 CA VAL A 146 12.211 -1.201 7.547 1.00 0.14 C ATOM 2338 C VAL A 146 12.931 0.046 8.065 1.00 0.15 C ATOM 2339 O VAL A 146 12.415 1.152 7.964 1.00 0.16 O ATOM 2340 CB VAL A 146 11.568 -1.987 8.715 1.00 0.16 C ATOM 2341 CG1 VAL A 146 12.550 -2.967 9.332 1.00 0.19 C ATOM 2342 CG2 VAL A 146 11.046 -1.034 9.772 1.00 0.17 C ATOM 0 H VAL A 146 13.260 -2.966 7.159 1.00 0.15 H new ATOM 0 HA VAL A 146 11.410 -0.876 6.883 1.00 0.14 H new ATOM 0 HB VAL A 146 10.733 -2.558 8.309 1.00 0.16 H new ATOM 0 HG11 VAL A 146 12.066 -3.502 10.149 1.00 0.19 H new ATOM 0 HG12 VAL A 146 12.877 -3.680 8.575 1.00 0.19 H new ATOM 0 HG13 VAL A 146 13.414 -2.424 9.716 1.00 0.19 H new ATOM 0 HG21 VAL A 146 10.597 -1.604 10.586 1.00 0.17 H new ATOM 0 HG22 VAL A 146 11.869 -0.434 10.160 1.00 0.17 H new ATOM 0 HG23 VAL A 146 10.295 -0.378 9.331 1.00 0.17 H new ATOM 2352 N SER A 147 14.138 -0.126 8.579 1.00 0.18 N ATOM 2353 CA SER A 147 14.889 0.989 9.138 1.00 0.21 C ATOM 2354 C SER A 147 15.176 2.047 8.064 1.00 0.21 C ATOM 2355 O SER A 147 15.125 3.251 8.327 1.00 0.24 O ATOM 2356 CB SER A 147 16.183 0.466 9.760 1.00 0.25 C ATOM 2357 OG SER A 147 16.900 1.492 10.427 1.00 0.85 O ATOM 0 H SER A 147 14.619 -1.025 8.621 1.00 0.18 H new ATOM 0 HA SER A 147 14.294 1.470 9.915 1.00 0.21 H new ATOM 0 HB2 SER A 147 15.951 -0.332 10.465 1.00 0.25 H new ATOM 0 HB3 SER A 147 16.810 0.031 8.982 1.00 0.25 H new ATOM 0 HG SER A 147 17.720 1.120 10.813 1.00 0.85 H new ATOM 2363 N ARG A 148 15.456 1.582 6.854 1.00 0.20 N ATOM 2364 CA ARG A 148 15.669 2.451 5.704 1.00 0.21 C ATOM 2365 C ARG A 148 14.377 3.160 5.306 1.00 0.19 C ATOM 2366 O ARG A 148 14.350 4.374 5.130 1.00 0.27 O ATOM 2367 CB ARG A 148 16.165 1.620 4.526 1.00 0.23 C ATOM 2368 CG ARG A 148 17.648 1.297 4.523 1.00 0.29 C ATOM 2369 CD ARG A 148 18.504 2.504 4.170 1.00 0.43 C ATOM 2370 NE ARG A 148 18.581 3.480 5.255 1.00 1.22 N ATOM 2371 CZ ARG A 148 18.875 4.769 5.079 1.00 1.53 C ATOM 2372 NH1 ARG A 148 19.096 5.248 3.860 1.00 1.19 N ATOM 2373 NH2 ARG A 148 18.953 5.579 6.126 1.00 2.48 N ATOM 0 H ARG A 148 15.542 0.588 6.641 1.00 0.20 H new ATOM 0 HA ARG A 148 16.410 3.203 5.975 1.00 0.21 H new ATOM 0 HB2 ARG A 148 15.608 0.683 4.507 1.00 0.23 H new ATOM 0 HB3 ARG A 148 15.926 2.151 3.605 1.00 0.23 H new ATOM 0 HG2 ARG A 148 17.938 0.924 5.505 1.00 0.29 H new ATOM 0 HG3 ARG A 148 17.841 0.497 3.809 1.00 0.29 H new ATOM 0 HD2 ARG A 148 19.510 2.169 3.917 1.00 0.43 H new ATOM 0 HD3 ARG A 148 18.096 2.986 3.282 1.00 0.43 H new ATOM 0 HE ARG A 148 18.399 3.156 6.205 1.00 1.22 H new ATOM 0 HH11 ARG A 148 19.041 4.629 3.051 1.00 1.19 H new ATOM 0 HH12 ARG A 148 19.320 6.235 3.733 1.00 1.19 H new ATOM 0 HH21 ARG A 148 18.788 5.216 7.065 1.00 2.48 H new ATOM 0 HH22 ARG A 148 19.178 6.565 5.992 1.00 2.48 H new ATOM 2387 N GLY A 149 13.308 2.393 5.162 1.00 0.14 N ATOM 2388 CA GLY A 149 12.046 2.956 4.750 1.00 0.13 C ATOM 2389 C GLY A 149 11.492 3.920 5.770 1.00 0.15 C ATOM 2390 O GLY A 149 10.970 4.970 5.417 1.00 0.17 O ATOM 0 H GLY A 149 13.295 1.386 5.325 1.00 0.14 H new ATOM 0 HA2 GLY A 149 12.173 3.471 3.798 1.00 0.13 H new ATOM 0 HA3 GLY A 149 11.328 2.152 4.585 1.00 0.13 H new ATOM 2394 N ASN A 150 11.610 3.558 7.040 1.00 0.17 N ATOM 2395 CA ASN A 150 11.119 4.385 8.133 1.00 0.22 C ATOM 2396 C ASN A 150 11.734 5.785 8.106 1.00 0.23 C ATOM 2397 O ASN A 150 11.055 6.768 8.406 1.00 0.26 O ATOM 2398 CB ASN A 150 11.406 3.715 9.481 1.00 0.32 C ATOM 2399 CG ASN A 150 10.824 4.481 10.656 1.00 0.46 C ATOM 2400 OD1 ASN A 150 9.656 4.304 11.007 1.00 1.42 O ATOM 2401 ND2 ASN A 150 11.637 5.316 11.283 1.00 0.93 N ATOM 0 H ASN A 150 12.047 2.687 7.341 1.00 0.17 H new ATOM 0 HA ASN A 150 10.042 4.489 8.004 1.00 0.22 H new ATOM 0 HB2 ASN A 150 10.997 2.705 9.474 1.00 0.32 H new ATOM 0 HB3 ASN A 150 12.484 3.621 9.613 1.00 0.32 H new ATOM 0 HD21 ASN A 150 11.303 5.843 12.090 1.00 0.93 H new ATOM 0 HD22 ASN A 150 12.597 5.433 10.959 1.00 0.93 H new ATOM 2408 N THR A 151 13.013 5.881 7.739 1.00 0.23 N ATOM 2409 CA THR A 151 13.683 7.175 7.686 1.00 0.27 C ATOM 2410 C THR A 151 13.310 7.916 6.399 1.00 0.27 C ATOM 2411 O THR A 151 13.341 9.148 6.345 1.00 0.33 O ATOM 2412 CB THR A 151 15.221 7.042 7.825 1.00 0.30 C ATOM 2413 OG1 THR A 151 15.814 8.329 8.040 1.00 0.40 O ATOM 2414 CG2 THR A 151 15.851 6.402 6.599 1.00 0.27 C ATOM 0 H THR A 151 13.597 5.087 7.478 1.00 0.23 H new ATOM 0 HA THR A 151 13.338 7.759 8.539 1.00 0.27 H new ATOM 0 HB THR A 151 15.409 6.396 8.682 1.00 0.30 H new ATOM 0 HG1 THR A 151 16.785 8.231 8.128 1.00 0.40 H new ATOM 0 HG21 THR A 151 16.929 6.329 6.740 1.00 0.27 H new ATOM 0 HG22 THR A 151 15.435 5.405 6.455 1.00 0.27 H new ATOM 0 HG23 THR A 151 15.641 7.013 5.721 1.00 0.27 H new ATOM 2422 N GLU A 152 12.946 7.158 5.364 1.00 0.25 N ATOM 2423 CA GLU A 152 12.326 7.721 4.172 1.00 0.30 C ATOM 2424 C GLU A 152 10.878 8.098 4.482 1.00 0.28 C ATOM 2425 O GLU A 152 10.220 8.809 3.723 1.00 0.30 O ATOM 2426 CB GLU A 152 12.381 6.708 3.033 1.00 0.34 C ATOM 2427 CG GLU A 152 13.471 6.967 1.997 1.00 0.52 C ATOM 2428 CD GLU A 152 14.804 7.393 2.577 1.00 0.63 C ATOM 2429 OE1 GLU A 152 15.679 6.527 2.777 1.00 1.31 O ATOM 2430 OE2 GLU A 152 15.000 8.607 2.795 1.00 0.98 O ATOM 0 H GLU A 152 13.073 6.146 5.331 1.00 0.25 H new ATOM 0 HA GLU A 152 12.867 8.616 3.866 1.00 0.30 H new ATOM 0 HB2 GLU A 152 12.530 5.715 3.456 1.00 0.34 H new ATOM 0 HB3 GLU A 152 11.415 6.697 2.528 1.00 0.34 H new ATOM 0 HG2 GLU A 152 13.618 6.061 1.410 1.00 0.52 H new ATOM 0 HG3 GLU A 152 13.125 7.739 1.310 1.00 0.52 H new ATOM 2437 N GLY A 153 10.412 7.627 5.631 1.00 0.25 N ATOM 2438 CA GLY A 153 9.120 8.010 6.151 1.00 0.25 C ATOM 2439 C GLY A 153 8.067 6.915 6.114 1.00 0.21 C ATOM 2440 O GLY A 153 7.013 7.075 6.730 1.00 0.24 O ATOM 0 H GLY A 153 10.922 6.971 6.222 1.00 0.25 H new ATOM 0 HA2 GLY A 153 9.243 8.341 7.182 1.00 0.25 H new ATOM 0 HA3 GLY A 153 8.754 8.865 5.583 1.00 0.25 H new ATOM 2444 N ALA A 154 8.307 5.809 5.413 1.00 0.17 N ATOM 2445 CA ALA A 154 7.371 4.688 5.493 1.00 0.16 C ATOM 2446 C ALA A 154 8.055 3.334 5.471 1.00 0.14 C ATOM 2447 O ALA A 154 8.803 3.018 4.543 1.00 0.15 O ATOM 2448 CB ALA A 154 6.350 4.744 4.384 1.00 0.19 C ATOM 0 H ALA A 154 9.112 5.665 4.803 1.00 0.17 H new ATOM 0 HA ALA A 154 6.875 4.795 6.458 1.00 0.16 H new ATOM 0 HB1 ALA A 154 5.670 3.897 4.473 1.00 0.19 H new ATOM 0 HB2 ALA A 154 5.784 5.673 4.457 1.00 0.19 H new ATOM 0 HB3 ALA A 154 6.857 4.703 3.420 1.00 0.19 H new ATOM 2454 N SER A 155 7.763 2.529 6.472 1.00 0.15 N ATOM 2455 CA SER A 155 8.122 1.129 6.451 1.00 0.16 C ATOM 2456 C SER A 155 7.098 0.283 7.195 1.00 0.15 C ATOM 2457 O SER A 155 6.330 0.791 8.014 1.00 0.19 O ATOM 2458 CB SER A 155 9.487 0.942 7.073 1.00 0.23 C ATOM 2459 OG SER A 155 9.563 1.613 8.318 1.00 1.42 O ATOM 0 H SER A 155 7.274 2.825 7.316 1.00 0.15 H new ATOM 0 HA SER A 155 8.142 0.800 5.412 1.00 0.16 H new ATOM 0 HB2 SER A 155 9.686 -0.120 7.213 1.00 0.23 H new ATOM 0 HB3 SER A 155 10.255 1.324 6.400 1.00 0.23 H new ATOM 0 HG SER A 155 8.905 1.231 8.936 1.00 1.42 H new ATOM 2465 N ILE A 156 7.094 -1.004 6.895 1.00 0.14 N ATOM 2466 CA ILE A 156 6.210 -1.957 7.538 1.00 0.15 C ATOM 2467 C ILE A 156 6.832 -3.351 7.469 1.00 0.15 C ATOM 2468 O ILE A 156 7.084 -3.880 6.389 1.00 0.17 O ATOM 2469 CB ILE A 156 4.800 -1.945 6.892 1.00 0.18 C ATOM 2470 CG1 ILE A 156 3.930 -3.067 7.456 1.00 0.21 C ATOM 2471 CG2 ILE A 156 4.886 -2.041 5.377 1.00 0.21 C ATOM 2472 CD1 ILE A 156 2.495 -2.995 6.993 1.00 0.28 C ATOM 0 H ILE A 156 7.708 -1.419 6.194 1.00 0.14 H new ATOM 0 HA ILE A 156 6.086 -1.671 8.583 1.00 0.15 H new ATOM 0 HB ILE A 156 4.332 -0.993 7.141 1.00 0.18 H new ATOM 0 HG12 ILE A 156 4.352 -4.028 7.163 1.00 0.21 H new ATOM 0 HG13 ILE A 156 3.956 -3.026 8.545 1.00 0.21 H new ATOM 0 HG21 ILE A 156 3.881 -2.030 4.954 1.00 0.21 H new ATOM 0 HG22 ILE A 156 5.452 -1.193 4.990 1.00 0.21 H new ATOM 0 HG23 ILE A 156 5.387 -2.968 5.099 1.00 0.21 H new ATOM 0 HD11 ILE A 156 1.930 -3.819 7.429 1.00 0.28 H new ATOM 0 HD12 ILE A 156 2.058 -2.048 7.310 1.00 0.28 H new ATOM 0 HD13 ILE A 156 2.459 -3.065 5.906 1.00 0.28 H new ATOM 2484 N SER A 157 7.103 -3.935 8.622 1.00 0.16 N ATOM 2485 CA SER A 157 7.843 -5.182 8.681 1.00 0.19 C ATOM 2486 C SER A 157 7.035 -6.284 9.353 1.00 0.20 C ATOM 2487 O SER A 157 6.235 -6.017 10.252 1.00 0.34 O ATOM 2488 CB SER A 157 9.157 -4.958 9.432 1.00 0.34 C ATOM 2489 OG SER A 157 8.920 -4.340 10.686 1.00 1.44 O ATOM 0 H SER A 157 6.822 -3.566 9.530 1.00 0.16 H new ATOM 0 HA SER A 157 8.051 -5.505 7.661 1.00 0.19 H new ATOM 0 HB2 SER A 157 9.663 -5.912 9.581 1.00 0.34 H new ATOM 0 HB3 SER A 157 9.822 -4.335 8.834 1.00 0.34 H new ATOM 0 HG SER A 157 9.772 -4.207 11.151 1.00 1.44 H new ATOM 2495 N PHE A 158 7.219 -7.512 8.881 1.00 0.20 N ATOM 2496 CA PHE A 158 6.650 -8.683 9.534 1.00 0.32 C ATOM 2497 C PHE A 158 7.236 -8.841 10.931 1.00 0.74 C ATOM 2498 O PHE A 158 8.384 -9.312 11.041 1.00 1.33 O ATOM 2499 CB PHE A 158 6.926 -9.947 8.712 1.00 0.97 C ATOM 2500 CG PHE A 158 5.831 -10.302 7.743 1.00 1.03 C ATOM 2501 CD1 PHE A 158 5.426 -9.408 6.766 1.00 0.97 C ATOM 2502 CD2 PHE A 158 5.210 -11.538 7.813 1.00 1.42 C ATOM 2503 CE1 PHE A 158 4.419 -9.744 5.878 1.00 1.38 C ATOM 2504 CE2 PHE A 158 4.204 -11.877 6.929 1.00 1.81 C ATOM 2505 CZ PHE A 158 3.808 -10.978 5.959 1.00 1.81 C ATOM 2506 OXT PHE A 158 6.550 -8.494 11.914 1.00 1.62 O ATOM 0 H PHE A 158 7.761 -7.722 8.043 1.00 0.20 H new ATOM 0 HA PHE A 158 5.572 -8.543 9.610 1.00 0.32 H new ATOM 0 HB2 PHE A 158 7.856 -9.812 8.159 1.00 0.97 H new ATOM 0 HB3 PHE A 158 7.079 -10.784 9.393 1.00 0.97 H new ATOM 0 HD1 PHE A 158 5.900 -8.440 6.696 1.00 0.97 H new ATOM 0 HD2 PHE A 158 5.516 -12.246 8.569 1.00 1.42 H new ATOM 0 HE1 PHE A 158 4.111 -9.039 5.120 1.00 1.38 H new ATOM 0 HE2 PHE A 158 3.728 -12.844 6.997 1.00 1.81 H new ATOM 0 HZ PHE A 158 3.022 -11.240 5.266 1.00 1.81 H new TER 2516 PHE A 158