USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1084 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 106 THR OG1 : rot 12:sc= 0.745 USER MOD Set 1.2: A 111 TYR OH : rot 138:sc= 1.29 USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0.239 USER MOD Set 2.2: A 52 LYS NZ :NH3+ -109:sc= 0.164 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -136:sc= -0.133 (180deg=-1.51!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -79:sc= 0.641 USER MOD Single : A 16 SER OG : rot -31:sc= 0.166 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0732 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.7! C(o=-1.7!,f=-7.3!) USER MOD Single : A 22 TYR OH : rot 22:sc= 0.663 USER MOD Single : A 23 SER OG : rot 70:sc= 0.172 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -154:sc= 0.458 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 61:sc= 0.17 USER MOD Single : A 44 GLN : amide:sc= -1.69! C(o=-1.7!,f=-3.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -138:sc= 0.263 USER MOD Single : A 77 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.21) USER MOD Single : A 79 THR OG1 : rot 174:sc= 1.27 USER MOD Single : A 81 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.19) USER MOD Single : A 85 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 149:sc= 1.13 (180deg=0.489) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot -172:sc= 1.26 USER MOD Single : A 115 CYS SG : rot 133:sc= 0.0903 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0.0462 K(o=0.046,f=-4!) USER MOD Single : A 120 TYR OH : rot -155:sc= -1.39! USER MOD Single : A 121 ASN : amide:sc= 1.05 K(o=1.1,f=-2) USER MOD Single : A 127 ASN : amide:sc= -0.449 K(o=-0.45,f=-2.1) USER MOD Single : A 132 THR OG1 : rot 80:sc= 0.1 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.4) USER MOD Single : A 140 ASN :FLIP amide:sc= -1.18 F(o=-2.7,f=-1.2) USER MOD Single : A 141 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0649) USER MOD Single : A 147 HIS : no HD1:sc= -0.0652 X(o=-0.065,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 22.683 5.725 -5.540 1.00 30.20 N ATOM 34 CA GLU A 4 21.248 5.565 -5.385 1.00 32.22 C ATOM 35 C GLU A 4 20.973 5.161 -3.947 1.00 74.45 C ATOM 36 O GLU A 4 21.883 4.784 -3.200 1.00 63.53 O ATOM 37 CB GLU A 4 20.656 4.574 -6.394 1.00 25.14 C ATOM 38 CG GLU A 4 20.951 4.929 -7.850 1.00 45.32 C ATOM 39 CD GLU A 4 22.258 4.345 -8.390 1.00 13.33 C ATOM 40 OE1 GLU A 4 22.414 3.100 -8.356 1.00 12.24 O ATOM 41 OE2 GLU A 4 23.120 5.125 -8.855 1.00 14.04 O ATOM 0 HA GLU A 4 20.751 6.511 -5.600 1.00 32.22 H new ATOM 0 HB2 GLU A 4 21.049 3.579 -6.185 1.00 25.14 H new ATOM 0 HB3 GLU A 4 19.576 4.527 -6.253 1.00 25.14 H new ATOM 0 HG2 GLU A 4 20.127 4.579 -8.471 1.00 45.32 H new ATOM 0 HG3 GLU A 4 20.984 6.014 -7.947 1.00 45.32 H new ATOM 48 N GLU A 5 19.712 5.281 -3.559 1.00 4.13 N ATOM 49 CA GLU A 5 19.213 4.739 -2.321 1.00 30.23 C ATOM 50 C GLU A 5 19.241 3.219 -2.467 1.00 31.32 C ATOM 51 O GLU A 5 19.135 2.658 -3.565 1.00 50.44 O ATOM 52 CB GLU A 5 17.820 5.332 -2.118 1.00 53.05 C ATOM 53 CG GLU A 5 17.111 4.843 -0.863 1.00 10.23 C ATOM 54 CD GLU A 5 17.842 5.165 0.443 1.00 3.14 C ATOM 55 OE1 GLU A 5 18.684 4.344 0.878 1.00 41.41 O ATOM 56 OE2 GLU A 5 17.513 6.196 1.074 1.00 52.43 O ATOM 0 H GLU A 5 19.003 5.766 -4.109 1.00 4.13 H new ATOM 0 HA GLU A 5 19.801 4.987 -1.437 1.00 30.23 H new ATOM 0 HB2 GLU A 5 17.902 6.418 -2.076 1.00 53.05 H new ATOM 0 HB3 GLU A 5 17.205 5.093 -2.986 1.00 53.05 H new ATOM 0 HG2 GLU A 5 16.116 5.286 -0.827 1.00 10.23 H new ATOM 0 HG3 GLU A 5 16.977 3.764 -0.933 1.00 10.23 H new ATOM 63 N ASP A 6 19.442 2.550 -1.345 1.00 41.03 N ATOM 64 CA ASP A 6 19.503 1.103 -1.268 1.00 51.22 C ATOM 65 C ASP A 6 18.087 0.519 -1.398 1.00 1.10 C ATOM 66 O ASP A 6 17.101 1.242 -1.373 1.00 4.10 O ATOM 67 CB ASP A 6 20.167 0.782 0.065 1.00 34.44 C ATOM 68 CG ASP A 6 20.259 -0.715 0.276 1.00 14.23 C ATOM 69 OD1 ASP A 6 21.114 -1.367 -0.362 1.00 64.13 O ATOM 70 OD2 ASP A 6 19.395 -1.285 0.970 1.00 14.41 O ATOM 0 H ASP A 6 19.570 3.009 -0.443 1.00 41.03 H new ATOM 0 HA ASP A 6 20.081 0.656 -2.077 1.00 51.22 H new ATOM 0 HB2 ASP A 6 21.165 1.219 0.093 1.00 34.44 H new ATOM 0 HB3 ASP A 6 19.598 1.234 0.878 1.00 34.44 H new ATOM 75 N PHE A 7 17.940 -0.791 -1.557 1.00 63.33 N ATOM 76 CA PHE A 7 16.699 -1.478 -1.853 1.00 12.10 C ATOM 77 C PHE A 7 16.022 -2.042 -0.591 1.00 63.41 C ATOM 78 O PHE A 7 14.892 -2.524 -0.675 1.00 24.32 O ATOM 79 CB PHE A 7 17.036 -2.634 -2.816 1.00 24.20 C ATOM 80 CG PHE A 7 18.072 -2.385 -3.911 1.00 11.40 C ATOM 81 CD1 PHE A 7 18.158 -1.149 -4.585 1.00 23.24 C ATOM 82 CD2 PHE A 7 18.966 -3.417 -4.260 1.00 2.14 C ATOM 83 CE1 PHE A 7 19.115 -0.953 -5.595 1.00 4.00 C ATOM 84 CE2 PHE A 7 19.943 -3.212 -5.250 1.00 64.32 C ATOM 85 CZ PHE A 7 20.011 -1.983 -5.926 1.00 1.31 C ATOM 0 H PHE A 7 18.729 -1.433 -1.478 1.00 63.33 H new ATOM 0 HA PHE A 7 15.998 -0.769 -2.294 1.00 12.10 H new ATOM 0 HB2 PHE A 7 17.382 -3.476 -2.217 1.00 24.20 H new ATOM 0 HB3 PHE A 7 16.110 -2.945 -3.299 1.00 24.20 H new ATOM 0 HD1 PHE A 7 17.483 -0.347 -4.323 1.00 23.24 H new ATOM 0 HD2 PHE A 7 18.900 -4.373 -3.763 1.00 2.14 H new ATOM 0 HE1 PHE A 7 19.162 -0.009 -6.118 1.00 4.00 H new ATOM 0 HE2 PHE A 7 20.641 -4.000 -5.491 1.00 64.32 H new ATOM 0 HZ PHE A 7 20.750 -1.830 -6.698 1.00 1.31 H new ATOM 95 N LYS A 8 16.682 -1.979 0.569 1.00 44.14 N ATOM 96 CA LYS A 8 16.306 -2.592 1.840 1.00 70.23 C ATOM 97 C LYS A 8 16.383 -1.557 2.952 1.00 34.31 C ATOM 98 O LYS A 8 15.405 -1.351 3.665 1.00 43.15 O ATOM 99 CB LYS A 8 17.298 -3.737 2.075 1.00 30.32 C ATOM 100 CG LYS A 8 17.242 -4.341 3.476 1.00 62.23 C ATOM 101 CD LYS A 8 18.123 -5.590 3.639 1.00 50.13 C ATOM 102 CE LYS A 8 19.635 -5.341 3.524 1.00 42.31 C ATOM 103 NZ LYS A 8 20.124 -5.237 2.127 1.00 3.11 N ATOM 0 H LYS A 8 17.556 -1.460 0.647 1.00 44.14 H new ATOM 0 HA LYS A 8 15.284 -2.970 1.825 1.00 70.23 H new ATOM 0 HB2 LYS A 8 17.106 -4.524 1.345 1.00 30.32 H new ATOM 0 HB3 LYS A 8 18.308 -3.371 1.890 1.00 30.32 H new ATOM 0 HG2 LYS A 8 17.554 -3.589 4.200 1.00 62.23 H new ATOM 0 HG3 LYS A 8 16.210 -4.601 3.710 1.00 62.23 H new ATOM 0 HD2 LYS A 8 17.917 -6.036 4.612 1.00 50.13 H new ATOM 0 HD3 LYS A 8 17.833 -6.321 2.885 1.00 50.13 H new ATOM 0 HE2 LYS A 8 19.883 -4.422 4.054 1.00 42.31 H new ATOM 0 HE3 LYS A 8 20.166 -6.151 4.025 1.00 42.31 H new ATOM 0 HZ1 LYS A 8 21.004 -5.782 2.026 1.00 3.11 H new ATOM 0 HZ2 LYS A 8 19.405 -5.617 1.478 1.00 3.11 H new ATOM 0 HZ3 LYS A 8 20.306 -4.239 1.896 1.00 3.11 H new ATOM 117 N THR A 9 17.508 -0.859 3.072 1.00 23.23 N ATOM 118 CA THR A 9 17.655 0.241 4.010 1.00 23.12 C ATOM 119 C THR A 9 16.539 1.271 3.798 1.00 53.51 C ATOM 120 O THR A 9 15.936 1.733 4.765 1.00 34.32 O ATOM 121 CB THR A 9 19.061 0.818 3.824 1.00 71.33 C ATOM 122 OG1 THR A 9 20.022 -0.059 4.365 1.00 34.23 O ATOM 123 CG2 THR A 9 19.227 2.201 4.424 1.00 70.11 C ATOM 0 H THR A 9 18.344 -1.044 2.518 1.00 23.23 H new ATOM 0 HA THR A 9 17.553 -0.092 5.043 1.00 23.12 H new ATOM 0 HB THR A 9 19.212 0.922 2.750 1.00 71.33 H new ATOM 0 HG1 THR A 9 20.917 0.319 4.239 1.00 34.23 H new ATOM 0 HG21 THR A 9 20.246 2.550 4.257 1.00 70.11 H new ATOM 0 HG22 THR A 9 18.525 2.889 3.952 1.00 70.11 H new ATOM 0 HG23 THR A 9 19.029 2.159 5.495 1.00 70.11 H new ATOM 131 N PHE A 10 16.192 1.585 2.544 1.00 30.10 N ATOM 132 CA PHE A 10 15.183 2.603 2.274 1.00 11.32 C ATOM 133 C PHE A 10 13.826 2.151 2.823 1.00 4.50 C ATOM 134 O PHE A 10 13.010 2.981 3.226 1.00 24.13 O ATOM 135 CB PHE A 10 15.050 2.825 0.756 1.00 53.45 C ATOM 136 CG PHE A 10 13.926 2.099 0.036 1.00 61.05 C ATOM 137 CD1 PHE A 10 14.117 0.802 -0.462 1.00 25.24 C ATOM 138 CD2 PHE A 10 12.671 2.718 -0.115 1.00 72.25 C ATOM 139 CE1 PHE A 10 13.076 0.133 -1.123 1.00 71.12 C ATOM 140 CE2 PHE A 10 11.622 2.034 -0.751 1.00 61.24 C ATOM 141 CZ PHE A 10 11.824 0.745 -1.265 1.00 23.21 C ATOM 0 H PHE A 10 16.593 1.152 1.712 1.00 30.10 H new ATOM 0 HA PHE A 10 15.489 3.531 2.757 1.00 11.32 H new ATOM 0 HB2 PHE A 10 14.926 3.894 0.582 1.00 53.45 H new ATOM 0 HB3 PHE A 10 15.991 2.534 0.290 1.00 53.45 H new ATOM 0 HD1 PHE A 10 15.072 0.315 -0.336 1.00 25.24 H new ATOM 0 HD2 PHE A 10 12.515 3.719 0.258 1.00 72.25 H new ATOM 0 HE1 PHE A 10 13.240 -0.856 -1.523 1.00 71.12 H new ATOM 0 HE2 PHE A 10 10.654 2.504 -0.845 1.00 61.24 H new ATOM 0 HZ PHE A 10 11.020 0.228 -1.767 1.00 23.21 H new ATOM 151 N LEU A 11 13.591 0.836 2.808 1.00 12.32 N ATOM 152 CA LEU A 11 12.363 0.209 3.240 1.00 33.22 C ATOM 153 C LEU A 11 12.214 0.429 4.739 1.00 1.51 C ATOM 154 O LEU A 11 11.160 0.893 5.157 1.00 33.40 O ATOM 155 CB LEU A 11 12.367 -1.285 2.854 1.00 2.14 C ATOM 156 CG LEU A 11 11.312 -1.665 1.808 1.00 63.04 C ATOM 157 CD1 LEU A 11 11.410 -3.171 1.552 1.00 70.42 C ATOM 158 CD2 LEU A 11 9.893 -1.279 2.226 1.00 53.15 C ATOM 0 H LEU A 11 14.284 0.163 2.480 1.00 12.32 H new ATOM 0 HA LEU A 11 11.501 0.654 2.743 1.00 33.22 H new ATOM 0 HB2 LEU A 11 13.353 -1.548 2.471 1.00 2.14 H new ATOM 0 HB3 LEU A 11 12.204 -1.881 3.752 1.00 2.14 H new ATOM 0 HG LEU A 11 11.516 -1.105 0.895 1.00 63.04 H new ATOM 0 HD11 LEU A 11 10.667 -3.463 0.810 1.00 70.42 H new ATOM 0 HD12 LEU A 11 12.407 -3.413 1.183 1.00 70.42 H new ATOM 0 HD13 LEU A 11 11.226 -3.711 2.481 1.00 70.42 H new ATOM 0 HD21 LEU A 11 9.191 -1.573 1.446 1.00 53.15 H new ATOM 0 HD22 LEU A 11 9.636 -1.787 3.155 1.00 53.15 H new ATOM 0 HD23 LEU A 11 9.838 -0.201 2.375 1.00 53.15 H new ATOM 170 N GLN A 12 13.291 0.242 5.516 1.00 5.14 N ATOM 171 CA GLN A 12 13.329 0.609 6.934 1.00 71.42 C ATOM 172 C GLN A 12 12.899 2.058 7.142 1.00 13.20 C ATOM 173 O GLN A 12 12.152 2.344 8.077 1.00 53.31 O ATOM 174 CB GLN A 12 14.729 0.444 7.555 1.00 54.52 C ATOM 175 CG GLN A 12 15.339 -0.942 7.378 1.00 5.41 C ATOM 176 CD GLN A 12 16.636 -1.096 8.165 1.00 12.20 C ATOM 177 OE1 GLN A 12 17.581 -0.331 7.988 1.00 21.32 O ATOM 178 NE2 GLN A 12 16.728 -2.081 9.038 1.00 73.11 N ATOM 0 H GLN A 12 14.160 -0.169 5.176 1.00 5.14 H new ATOM 0 HA GLN A 12 12.637 -0.073 7.427 1.00 71.42 H new ATOM 0 HB2 GLN A 12 15.399 1.181 7.112 1.00 54.52 H new ATOM 0 HB3 GLN A 12 14.669 0.668 8.620 1.00 54.52 H new ATOM 0 HG2 GLN A 12 14.624 -1.698 7.704 1.00 5.41 H new ATOM 0 HG3 GLN A 12 15.532 -1.121 6.320 1.00 5.41 H new ATOM 0 HE21 GLN A 12 15.939 -2.712 9.180 1.00 73.11 H new ATOM 0 HE22 GLN A 12 17.588 -2.211 9.571 1.00 73.11 H new ATOM 187 N LYS A 13 13.378 2.980 6.293 1.00 34.14 N ATOM 188 CA LYS A 13 13.043 4.390 6.429 1.00 34.12 C ATOM 189 C LYS A 13 11.561 4.600 6.198 1.00 1.31 C ATOM 190 O LYS A 13 10.893 5.240 7.006 1.00 42.32 O ATOM 191 CB LYS A 13 13.905 5.294 5.555 1.00 2.10 C ATOM 192 CG LYS A 13 15.390 5.174 5.912 1.00 11.23 C ATOM 193 CD LYS A 13 15.701 5.060 7.407 1.00 53.41 C ATOM 194 CE LYS A 13 17.147 5.361 7.783 1.00 61.44 C ATOM 195 NZ LYS A 13 17.376 5.000 9.199 1.00 54.25 N ATOM 0 H LYS A 13 13.996 2.767 5.510 1.00 34.14 H new ATOM 0 HA LYS A 13 13.272 4.686 7.453 1.00 34.12 H new ATOM 0 HB2 LYS A 13 13.760 5.033 4.507 1.00 2.10 H new ATOM 0 HB3 LYS A 13 13.584 6.329 5.673 1.00 2.10 H new ATOM 0 HG2 LYS A 13 15.798 4.299 5.406 1.00 11.23 H new ATOM 0 HG3 LYS A 13 15.913 6.044 5.515 1.00 11.23 H new ATOM 0 HD2 LYS A 13 15.049 5.742 7.953 1.00 53.41 H new ATOM 0 HD3 LYS A 13 15.456 4.051 7.739 1.00 53.41 H new ATOM 0 HE2 LYS A 13 17.825 4.800 7.140 1.00 61.44 H new ATOM 0 HE3 LYS A 13 17.361 6.418 7.627 1.00 61.44 H new ATOM 0 HZ1 LYS A 13 18.363 5.206 9.454 1.00 54.25 H new ATOM 0 HZ2 LYS A 13 16.739 5.554 9.806 1.00 54.25 H new ATOM 0 HZ3 LYS A 13 17.188 3.986 9.334 1.00 54.25 H new ATOM 209 N PHE A 14 11.048 4.045 5.105 1.00 64.25 N ATOM 210 CA PHE A 14 9.665 4.156 4.686 1.00 30.04 C ATOM 211 C PHE A 14 8.705 3.795 5.825 1.00 45.24 C ATOM 212 O PHE A 14 7.713 4.497 6.025 1.00 11.34 O ATOM 213 CB PHE A 14 9.473 3.262 3.458 1.00 54.53 C ATOM 214 CG PHE A 14 8.105 3.298 2.819 1.00 21.20 C ATOM 215 CD1 PHE A 14 7.526 4.518 2.413 1.00 30.24 C ATOM 216 CD2 PHE A 14 7.449 2.085 2.541 1.00 30.03 C ATOM 217 CE1 PHE A 14 6.302 4.513 1.716 1.00 30.11 C ATOM 218 CE2 PHE A 14 6.230 2.092 1.847 1.00 22.30 C ATOM 219 CZ PHE A 14 5.643 3.303 1.440 1.00 24.32 C ATOM 0 H PHE A 14 11.611 3.484 4.465 1.00 64.25 H new ATOM 0 HA PHE A 14 9.432 5.187 4.421 1.00 30.04 H new ATOM 0 HB2 PHE A 14 10.210 3.547 2.707 1.00 54.53 H new ATOM 0 HB3 PHE A 14 9.691 2.233 3.745 1.00 54.53 H new ATOM 0 HD1 PHE A 14 8.019 5.453 2.636 1.00 30.24 H new ATOM 0 HD2 PHE A 14 7.883 1.150 2.861 1.00 30.03 H new ATOM 0 HE1 PHE A 14 5.867 5.446 1.391 1.00 30.11 H new ATOM 0 HE2 PHE A 14 5.737 1.157 1.623 1.00 22.30 H new ATOM 0 HZ PHE A 14 4.696 3.303 0.921 1.00 24.32 H new ATOM 229 N THR A 15 9.023 2.778 6.616 1.00 45.31 N ATOM 230 CA THR A 15 8.179 2.233 7.669 1.00 42.13 C ATOM 231 C THR A 15 8.545 2.810 9.059 1.00 42.15 C ATOM 232 O THR A 15 8.254 2.187 10.080 1.00 72.03 O ATOM 233 CB THR A 15 8.282 0.702 7.550 1.00 63.13 C ATOM 234 OG1 THR A 15 9.638 0.309 7.472 1.00 5.51 O ATOM 235 CG2 THR A 15 7.614 0.203 6.263 1.00 12.50 C ATOM 0 H THR A 15 9.915 2.290 6.537 1.00 45.31 H new ATOM 0 HA THR A 15 7.135 2.526 7.555 1.00 42.13 H new ATOM 0 HB THR A 15 7.792 0.281 8.428 1.00 63.13 H new ATOM 0 HG1 THR A 15 9.969 0.456 6.561 1.00 5.51 H new ATOM 0 HG21 THR A 15 7.702 -0.882 6.205 1.00 12.50 H new ATOM 0 HG22 THR A 15 6.560 0.482 6.268 1.00 12.50 H new ATOM 0 HG23 THR A 15 8.105 0.654 5.400 1.00 12.50 H new ATOM 243 N SER A 16 9.198 3.985 9.122 1.00 54.25 N ATOM 244 CA SER A 16 9.756 4.576 10.346 1.00 25.21 C ATOM 245 C SER A 16 9.424 6.074 10.504 1.00 25.10 C ATOM 246 O SER A 16 9.875 6.707 11.463 1.00 23.20 O ATOM 247 CB SER A 16 11.270 4.275 10.329 1.00 2.30 C ATOM 248 OG SER A 16 11.996 4.651 11.488 1.00 23.11 O ATOM 0 H SER A 16 9.355 4.564 8.297 1.00 54.25 H new ATOM 0 HA SER A 16 9.297 4.131 11.229 1.00 25.21 H new ATOM 0 HB2 SER A 16 11.405 3.205 10.172 1.00 2.30 H new ATOM 0 HB3 SER A 16 11.710 4.781 9.470 1.00 2.30 H new ATOM 0 HG SER A 16 11.580 5.441 11.893 1.00 23.11 H new ATOM 254 N SER A 17 8.642 6.682 9.602 1.00 45.35 N ATOM 255 CA SER A 17 8.103 8.032 9.798 1.00 51.35 C ATOM 256 C SER A 17 6.789 8.208 9.038 1.00 21.13 C ATOM 257 O SER A 17 6.617 7.588 7.989 1.00 65.41 O ATOM 258 CB SER A 17 9.088 9.101 9.327 1.00 3.40 C ATOM 259 OG SER A 17 10.410 8.822 9.748 1.00 44.45 O ATOM 0 H SER A 17 8.367 6.252 8.719 1.00 45.35 H new ATOM 0 HA SER A 17 7.930 8.152 10.867 1.00 51.35 H new ATOM 0 HB2 SER A 17 9.060 9.167 8.239 1.00 3.40 H new ATOM 0 HB3 SER A 17 8.781 10.073 9.713 1.00 3.40 H new ATOM 0 HG SER A 17 11.011 9.526 9.427 1.00 44.45 H new ATOM 265 N ALA A 18 5.895 9.090 9.481 1.00 70.02 N ATOM 266 CA ALA A 18 4.697 9.440 8.721 1.00 21.43 C ATOM 267 C ALA A 18 5.067 10.320 7.521 1.00 64.15 C ATOM 268 O ALA A 18 4.769 9.967 6.381 1.00 51.24 O ATOM 269 CB ALA A 18 3.688 10.115 9.651 1.00 25.22 C ATOM 0 H ALA A 18 5.980 9.580 10.372 1.00 70.02 H new ATOM 0 HA ALA A 18 4.231 8.540 8.320 1.00 21.43 H new ATOM 0 HB1 ALA A 18 2.793 10.378 9.087 1.00 25.22 H new ATOM 0 HB2 ALA A 18 3.422 9.431 10.457 1.00 25.22 H new ATOM 0 HB3 ALA A 18 4.129 11.018 10.073 1.00 25.22 H new ATOM 275 N SER A 19 5.737 11.456 7.743 1.00 32.44 N ATOM 276 CA SER A 19 6.028 12.416 6.678 1.00 63.33 C ATOM 277 C SER A 19 6.824 11.777 5.537 1.00 43.15 C ATOM 278 O SER A 19 6.428 11.940 4.381 1.00 10.33 O ATOM 279 CB SER A 19 6.765 13.635 7.244 1.00 72.43 C ATOM 280 OG SER A 19 5.929 14.312 8.166 1.00 22.02 O ATOM 0 H SER A 19 6.090 11.733 8.659 1.00 32.44 H new ATOM 0 HA SER A 19 5.077 12.746 6.261 1.00 63.33 H new ATOM 0 HB2 SER A 19 7.685 13.320 7.736 1.00 72.43 H new ATOM 0 HB3 SER A 19 7.050 14.308 6.435 1.00 72.43 H new ATOM 0 HG SER A 19 6.403 15.090 8.528 1.00 22.02 H new ATOM 286 N PHE A 20 7.910 11.047 5.829 1.00 23.33 N ATOM 287 CA PHE A 20 8.717 10.418 4.781 1.00 1.54 C ATOM 288 C PHE A 20 7.921 9.340 4.034 1.00 23.40 C ATOM 289 O PHE A 20 8.039 9.261 2.814 1.00 41.35 O ATOM 290 CB PHE A 20 10.040 9.874 5.340 1.00 4.54 C ATOM 291 CG PHE A 20 10.943 9.245 4.289 1.00 32.40 C ATOM 292 CD1 PHE A 20 11.623 10.060 3.364 1.00 2.31 C ATOM 293 CD2 PHE A 20 11.107 7.846 4.230 1.00 51.21 C ATOM 294 CE1 PHE A 20 12.464 9.483 2.395 1.00 31.13 C ATOM 295 CE2 PHE A 20 11.942 7.267 3.257 1.00 54.52 C ATOM 296 CZ PHE A 20 12.629 8.088 2.346 1.00 62.44 C ATOM 0 H PHE A 20 8.246 10.880 6.777 1.00 23.33 H new ATOM 0 HA PHE A 20 8.973 11.188 4.053 1.00 1.54 H new ATOM 0 HB2 PHE A 20 10.578 10.687 5.828 1.00 4.54 H new ATOM 0 HB3 PHE A 20 9.821 9.132 6.107 1.00 4.54 H new ATOM 0 HD1 PHE A 20 11.499 11.132 3.398 1.00 2.31 H new ATOM 0 HD2 PHE A 20 10.588 7.215 4.936 1.00 51.21 H new ATOM 0 HE1 PHE A 20 12.983 10.113 1.688 1.00 31.13 H new ATOM 0 HE2 PHE A 20 12.055 6.194 3.210 1.00 54.52 H new ATOM 0 HZ PHE A 20 13.283 7.647 1.609 1.00 62.44 H new ATOM 306 N GLN A 21 7.051 8.577 4.714 1.00 54.55 N ATOM 307 CA GLN A 21 6.141 7.620 4.092 1.00 30.43 C ATOM 308 C GLN A 21 5.364 8.332 2.985 1.00 64.04 C ATOM 309 O GLN A 21 5.442 7.936 1.823 1.00 31.30 O ATOM 310 CB GLN A 21 5.237 6.923 5.123 1.00 5.10 C ATOM 311 CG GLN A 21 4.326 5.890 4.427 1.00 3.33 C ATOM 312 CD GLN A 21 4.088 4.564 5.149 1.00 24.23 C ATOM 313 OE1 GLN A 21 3.211 3.812 4.734 1.00 73.12 O ATOM 314 NE2 GLN A 21 4.850 4.203 6.167 1.00 22.32 N ATOM 0 H GLN A 21 6.964 8.613 5.730 1.00 54.55 H new ATOM 0 HA GLN A 21 6.714 6.810 3.641 1.00 30.43 H new ATOM 0 HB2 GLN A 21 5.849 6.428 5.877 1.00 5.10 H new ATOM 0 HB3 GLN A 21 4.628 7.663 5.642 1.00 5.10 H new ATOM 0 HG2 GLN A 21 3.357 6.358 4.254 1.00 3.33 H new ATOM 0 HG3 GLN A 21 4.753 5.669 3.449 1.00 3.33 H new ATOM 0 HE21 GLN A 21 5.577 4.832 6.508 1.00 22.32 H new ATOM 0 HE22 GLN A 21 4.711 3.296 6.612 1.00 22.32 H new ATOM 323 N TYR A 22 4.668 9.418 3.326 1.00 62.44 N ATOM 324 CA TYR A 22 3.924 10.224 2.367 1.00 2.50 C ATOM 325 C TYR A 22 4.824 10.765 1.249 1.00 23.13 C ATOM 326 O TYR A 22 4.437 10.721 0.080 1.00 73.33 O ATOM 327 CB TYR A 22 3.171 11.337 3.119 1.00 31.02 C ATOM 328 CG TYR A 22 1.964 10.831 3.897 1.00 45.35 C ATOM 329 CD1 TYR A 22 0.917 10.192 3.211 1.00 14.53 C ATOM 330 CD2 TYR A 22 1.881 10.969 5.296 1.00 30.30 C ATOM 331 CE1 TYR A 22 -0.211 9.725 3.905 1.00 73.45 C ATOM 332 CE2 TYR A 22 0.764 10.473 5.998 1.00 10.40 C ATOM 333 CZ TYR A 22 -0.305 9.868 5.303 1.00 23.34 C ATOM 334 OH TYR A 22 -1.377 9.389 5.996 1.00 53.25 O ATOM 0 H TYR A 22 4.607 9.762 4.284 1.00 62.44 H new ATOM 0 HA TYR A 22 3.190 9.594 1.863 1.00 2.50 H new ATOM 0 HB2 TYR A 22 3.858 11.829 3.808 1.00 31.02 H new ATOM 0 HB3 TYR A 22 2.843 12.091 2.403 1.00 31.02 H new ATOM 0 HD1 TYR A 22 0.980 10.059 2.141 1.00 14.53 H new ATOM 0 HD2 TYR A 22 2.679 11.458 5.835 1.00 30.30 H new ATOM 0 HE1 TYR A 22 -1.015 9.251 3.361 1.00 73.45 H new ATOM 0 HE2 TYR A 22 0.726 10.556 7.074 1.00 10.40 H new ATOM 0 HH TYR A 22 -1.820 8.689 5.471 1.00 53.25 H new ATOM 344 N SER A 23 6.045 11.204 1.568 1.00 24.43 N ATOM 345 CA SER A 23 6.982 11.723 0.583 1.00 72.12 C ATOM 346 C SER A 23 7.470 10.687 -0.421 1.00 13.22 C ATOM 347 O SER A 23 8.108 11.087 -1.383 1.00 5.44 O ATOM 348 CB SER A 23 8.219 12.292 1.266 1.00 11.30 C ATOM 349 OG SER A 23 7.952 13.413 2.089 1.00 63.03 O ATOM 0 H SER A 23 6.407 11.207 2.522 1.00 24.43 H new ATOM 0 HA SER A 23 6.419 12.487 0.046 1.00 72.12 H new ATOM 0 HB2 SER A 23 8.681 11.511 1.870 1.00 11.30 H new ATOM 0 HB3 SER A 23 8.945 12.577 0.504 1.00 11.30 H new ATOM 0 HG SER A 23 7.445 13.127 2.877 1.00 63.03 H new ATOM 355 N ARG A 24 7.253 9.385 -0.239 1.00 45.43 N ATOM 356 CA ARG A 24 7.778 8.351 -1.131 1.00 30.03 C ATOM 357 C ARG A 24 6.658 7.791 -2.006 1.00 61.11 C ATOM 358 O ARG A 24 6.705 6.615 -2.340 1.00 45.12 O ATOM 359 CB ARG A 24 8.493 7.269 -0.288 1.00 53.14 C ATOM 360 CG ARG A 24 9.817 7.719 0.356 1.00 3.22 C ATOM 361 CD ARG A 24 10.891 8.083 -0.680 1.00 44.53 C ATOM 362 NE ARG A 24 11.155 9.535 -0.736 1.00 62.11 N ATOM 363 CZ ARG A 24 11.358 10.273 -1.838 1.00 70.04 C ATOM 364 NH1 ARG A 24 11.393 9.720 -3.046 1.00 31.40 N ATOM 365 NH2 ARG A 24 11.528 11.588 -1.737 1.00 14.23 N ATOM 0 H ARG A 24 6.704 9.015 0.537 1.00 45.43 H new ATOM 0 HA ARG A 24 8.516 8.772 -1.813 1.00 30.03 H new ATOM 0 HB2 ARG A 24 7.817 6.937 0.500 1.00 53.14 H new ATOM 0 HB3 ARG A 24 8.690 6.405 -0.923 1.00 53.14 H new ATOM 0 HG2 ARG A 24 9.630 8.581 0.996 1.00 3.22 H new ATOM 0 HG3 ARG A 24 10.193 6.922 0.997 1.00 3.22 H new ATOM 0 HD2 ARG A 24 11.816 7.558 -0.440 1.00 44.53 H new ATOM 0 HD3 ARG A 24 10.574 7.737 -1.664 1.00 44.53 H new ATOM 0 HE ARG A 24 11.186 10.028 0.156 1.00 62.11 H new ATOM 0 HH11 ARG A 24 11.264 8.714 -3.150 1.00 31.40 H new ATOM 0 HH12 ARG A 24 11.549 10.302 -3.869 1.00 31.40 H new ATOM 0 HH21 ARG A 24 11.504 12.036 -0.821 1.00 14.23 H new ATOM 0 HH22 ARG A 24 11.682 12.148 -2.575 1.00 14.23 H new ATOM 379 N ILE A 25 5.614 8.559 -2.336 1.00 22.14 N ATOM 380 CA ILE A 25 4.425 8.048 -3.021 1.00 11.23 C ATOM 381 C ILE A 25 4.005 9.092 -4.064 1.00 23.30 C ATOM 382 O ILE A 25 3.802 10.250 -3.702 1.00 71.24 O ATOM 383 CB ILE A 25 3.313 7.744 -1.976 1.00 54.25 C ATOM 384 CG1 ILE A 25 3.798 6.810 -0.840 1.00 70.31 C ATOM 385 CG2 ILE A 25 2.099 7.106 -2.672 1.00 22.40 C ATOM 386 CD1 ILE A 25 2.818 6.651 0.319 1.00 63.04 C ATOM 0 H ILE A 25 5.571 9.558 -2.134 1.00 22.14 H new ATOM 0 HA ILE A 25 4.624 7.109 -3.538 1.00 11.23 H new ATOM 0 HB ILE A 25 3.037 8.697 -1.524 1.00 54.25 H new ATOM 0 HG12 ILE A 25 4.004 5.826 -1.261 1.00 70.31 H new ATOM 0 HG13 ILE A 25 4.741 7.194 -0.450 1.00 70.31 H new ATOM 0 HG21 ILE A 25 1.325 6.896 -1.934 1.00 22.40 H new ATOM 0 HG22 ILE A 25 1.708 7.792 -3.423 1.00 22.40 H new ATOM 0 HG23 ILE A 25 2.403 6.176 -3.153 1.00 22.40 H new ATOM 0 HD11 ILE A 25 3.243 5.980 1.065 1.00 63.04 H new ATOM 0 HD12 ILE A 25 2.629 7.624 0.772 1.00 63.04 H new ATOM 0 HD13 ILE A 25 1.881 6.235 -0.051 1.00 63.04 H new ATOM 398 N LYS A 26 3.897 8.719 -5.350 1.00 21.10 N ATOM 399 CA LYS A 26 3.245 9.575 -6.350 1.00 14.54 C ATOM 400 C LYS A 26 1.757 9.620 -6.056 1.00 32.24 C ATOM 401 O LYS A 26 1.179 8.635 -5.604 1.00 30.31 O ATOM 402 CB LYS A 26 3.401 9.055 -7.799 1.00 44.51 C ATOM 403 CG LYS A 26 4.436 9.843 -8.613 1.00 65.12 C ATOM 404 CD LYS A 26 5.824 9.254 -8.395 1.00 72.31 C ATOM 405 CE LYS A 26 6.951 10.214 -8.787 1.00 13.44 C ATOM 406 NZ LYS A 26 7.324 10.169 -10.220 1.00 63.42 N ATOM 0 H LYS A 26 4.251 7.836 -5.718 1.00 21.10 H new ATOM 0 HA LYS A 26 3.724 10.552 -6.282 1.00 14.54 H new ATOM 0 HB2 LYS A 26 3.692 8.005 -7.772 1.00 44.51 H new ATOM 0 HB3 LYS A 26 2.436 9.106 -8.303 1.00 44.51 H new ATOM 0 HG2 LYS A 26 4.180 9.811 -9.672 1.00 65.12 H new ATOM 0 HG3 LYS A 26 4.425 10.891 -8.314 1.00 65.12 H new ATOM 0 HD2 LYS A 26 5.936 8.981 -7.346 1.00 72.31 H new ATOM 0 HD3 LYS A 26 5.918 8.336 -8.975 1.00 72.31 H new ATOM 0 HE2 LYS A 26 6.650 11.231 -8.535 1.00 13.44 H new ATOM 0 HE3 LYS A 26 7.832 9.984 -8.188 1.00 13.44 H new ATOM 0 HZ1 LYS A 26 8.092 10.847 -10.400 1.00 63.42 H new ATOM 0 HZ2 LYS A 26 7.644 9.210 -10.466 1.00 63.42 H new ATOM 0 HZ3 LYS A 26 6.499 10.418 -10.802 1.00 63.42 H new ATOM 420 N PHE A 27 1.112 10.721 -6.422 1.00 23.32 N ATOM 421 CA PHE A 27 -0.334 10.812 -6.472 1.00 13.14 C ATOM 422 C PHE A 27 -0.786 11.556 -7.740 1.00 61.33 C ATOM 423 O PHE A 27 -0.054 12.440 -8.210 1.00 63.23 O ATOM 424 CB PHE A 27 -0.871 11.405 -5.161 1.00 43.23 C ATOM 425 CG PHE A 27 -0.003 12.437 -4.460 1.00 34.00 C ATOM 426 CD1 PHE A 27 1.035 12.003 -3.613 1.00 24.20 C ATOM 427 CD2 PHE A 27 -0.205 13.814 -4.660 1.00 42.45 C ATOM 428 CE1 PHE A 27 1.897 12.932 -3.012 1.00 24.10 C ATOM 429 CE2 PHE A 27 0.638 14.748 -4.033 1.00 50.44 C ATOM 430 CZ PHE A 27 1.694 14.306 -3.217 1.00 1.54 C ATOM 0 H PHE A 27 1.587 11.582 -6.694 1.00 23.32 H new ATOM 0 HA PHE A 27 -0.771 9.816 -6.551 1.00 13.14 H new ATOM 0 HB2 PHE A 27 -1.839 11.862 -5.368 1.00 43.23 H new ATOM 0 HB3 PHE A 27 -1.048 10.584 -4.466 1.00 43.23 H new ATOM 0 HD1 PHE A 27 1.168 10.948 -3.425 1.00 24.20 H new ATOM 0 HD2 PHE A 27 -1.009 14.155 -5.296 1.00 42.45 H new ATOM 0 HE1 PHE A 27 2.714 12.591 -2.394 1.00 24.10 H new ATOM 0 HE2 PHE A 27 0.474 15.806 -4.178 1.00 50.44 H new ATOM 0 HZ PHE A 27 2.350 15.024 -2.747 1.00 1.54 H new ATOM 440 N PRO A 28 -1.959 11.201 -8.308 1.00 41.11 N ATOM 441 CA PRO A 28 -2.750 10.023 -7.945 1.00 53.41 C ATOM 442 C PRO A 28 -2.029 8.738 -8.393 1.00 13.54 C ATOM 443 O PRO A 28 -1.156 8.790 -9.262 1.00 24.33 O ATOM 444 CB PRO A 28 -4.093 10.201 -8.654 1.00 64.35 C ATOM 445 CG PRO A 28 -3.685 10.931 -9.937 1.00 23.04 C ATOM 446 CD PRO A 28 -2.515 11.819 -9.504 1.00 12.41 C ATOM 0 HA PRO A 28 -2.890 9.930 -6.868 1.00 53.41 H new ATOM 0 HB2 PRO A 28 -4.573 9.245 -8.864 1.00 64.35 H new ATOM 0 HB3 PRO A 28 -4.794 10.785 -8.058 1.00 64.35 H new ATOM 0 HG2 PRO A 28 -3.387 10.230 -10.717 1.00 23.04 H new ATOM 0 HG3 PRO A 28 -4.508 11.523 -10.338 1.00 23.04 H new ATOM 0 HD2 PRO A 28 -1.765 11.887 -10.292 1.00 12.41 H new ATOM 0 HD3 PRO A 28 -2.853 12.835 -9.297 1.00 12.41 H new ATOM 454 N LEU A 29 -2.364 7.600 -7.784 1.00 12.44 N ATOM 455 CA LEU A 29 -1.768 6.306 -8.121 1.00 61.42 C ATOM 456 C LEU A 29 -2.399 5.764 -9.404 1.00 45.43 C ATOM 457 O LEU A 29 -3.479 6.200 -9.819 1.00 50.52 O ATOM 458 CB LEU A 29 -1.971 5.300 -6.975 1.00 42.11 C ATOM 459 CG LEU A 29 -1.284 5.721 -5.664 1.00 44.43 C ATOM 460 CD1 LEU A 29 -1.956 5.029 -4.482 1.00 70.03 C ATOM 461 CD2 LEU A 29 0.212 5.408 -5.639 1.00 72.15 C ATOM 0 H LEU A 29 -3.060 7.549 -7.040 1.00 12.44 H new ATOM 0 HA LEU A 29 -0.698 6.446 -8.274 1.00 61.42 H new ATOM 0 HB2 LEU A 29 -3.039 5.177 -6.794 1.00 42.11 H new ATOM 0 HB3 LEU A 29 -1.586 4.328 -7.282 1.00 42.11 H new ATOM 0 HG LEU A 29 -1.391 6.803 -5.593 1.00 44.43 H new ATOM 0 HD11 LEU A 29 -1.465 5.331 -3.557 1.00 70.03 H new ATOM 0 HD12 LEU A 29 -3.008 5.313 -4.444 1.00 70.03 H new ATOM 0 HD13 LEU A 29 -1.876 3.948 -4.599 1.00 70.03 H new ATOM 0 HD21 LEU A 29 0.635 5.730 -4.687 1.00 72.15 H new ATOM 0 HD22 LEU A 29 0.361 4.335 -5.758 1.00 72.15 H new ATOM 0 HD23 LEU A 29 0.708 5.936 -6.454 1.00 72.15 H new ATOM 473 N LYS A 30 -1.736 4.785 -10.021 1.00 3.41 N ATOM 474 CA LYS A 30 -2.196 4.183 -11.281 1.00 24.13 C ATOM 475 C LYS A 30 -3.425 3.280 -11.101 1.00 12.34 C ATOM 476 O LYS A 30 -4.159 3.053 -12.063 1.00 25.13 O ATOM 477 CB LYS A 30 -1.040 3.469 -11.987 1.00 34.00 C ATOM 478 CG LYS A 30 -0.040 4.484 -12.555 1.00 14.51 C ATOM 479 CD LYS A 30 1.060 3.846 -13.405 1.00 45.53 C ATOM 480 CE LYS A 30 1.776 4.942 -14.208 1.00 31.22 C ATOM 481 NZ LYS A 30 2.819 4.420 -15.115 1.00 23.03 N ATOM 0 H LYS A 30 -0.867 4.385 -9.666 1.00 3.41 H new ATOM 0 HA LYS A 30 -2.533 4.994 -11.927 1.00 24.13 H new ATOM 0 HB2 LYS A 30 -0.534 2.806 -11.286 1.00 34.00 H new ATOM 0 HB3 LYS A 30 -1.429 2.845 -12.792 1.00 34.00 H new ATOM 0 HG2 LYS A 30 -0.579 5.213 -13.160 1.00 14.51 H new ATOM 0 HG3 LYS A 30 0.419 5.030 -11.731 1.00 14.51 H new ATOM 0 HD2 LYS A 30 1.772 3.322 -12.767 1.00 45.53 H new ATOM 0 HD3 LYS A 30 0.631 3.105 -14.080 1.00 45.53 H new ATOM 0 HE2 LYS A 30 1.040 5.493 -14.793 1.00 31.22 H new ATOM 0 HE3 LYS A 30 2.229 5.652 -13.516 1.00 31.22 H new ATOM 0 HZ1 LYS A 30 3.262 5.210 -15.626 1.00 23.03 H new ATOM 0 HZ2 LYS A 30 3.541 3.918 -14.561 1.00 23.03 H new ATOM 0 HZ3 LYS A 30 2.389 3.764 -15.798 1.00 23.03 H new ATOM 495 N SER A 31 -3.692 2.834 -9.877 1.00 3.34 N ATOM 496 CA SER A 31 -4.793 1.990 -9.442 1.00 4.21 C ATOM 497 C SER A 31 -5.854 2.892 -8.792 1.00 61.14 C ATOM 498 O SER A 31 -5.726 3.232 -7.612 1.00 4.30 O ATOM 499 CB SER A 31 -4.234 0.873 -8.543 1.00 70.21 C ATOM 500 OG SER A 31 -5.230 0.081 -7.939 1.00 45.22 O ATOM 0 H SER A 31 -3.085 3.079 -9.095 1.00 3.34 H new ATOM 0 HA SER A 31 -5.292 1.477 -10.264 1.00 4.21 H new ATOM 0 HB2 SER A 31 -3.583 0.232 -9.137 1.00 70.21 H new ATOM 0 HB3 SER A 31 -3.616 1.320 -7.764 1.00 70.21 H new ATOM 0 HG SER A 31 -4.883 -0.303 -7.107 1.00 45.22 H new ATOM 506 N PRO A 32 -6.806 3.471 -9.549 1.00 52.23 N ATOM 507 CA PRO A 32 -7.903 4.204 -8.942 1.00 51.12 C ATOM 508 C PRO A 32 -8.822 3.243 -8.173 1.00 23.42 C ATOM 509 O PRO A 32 -8.812 2.027 -8.362 1.00 21.04 O ATOM 510 CB PRO A 32 -8.627 4.872 -10.109 1.00 44.25 C ATOM 511 CG PRO A 32 -8.472 3.840 -11.221 1.00 1.52 C ATOM 512 CD PRO A 32 -7.078 3.274 -10.965 1.00 62.03 C ATOM 0 HA PRO A 32 -7.565 4.943 -8.215 1.00 51.12 H new ATOM 0 HB2 PRO A 32 -9.674 5.068 -9.879 1.00 44.25 H new ATOM 0 HB3 PRO A 32 -8.175 5.827 -10.375 1.00 44.25 H new ATOM 0 HG2 PRO A 32 -9.239 3.067 -11.165 1.00 1.52 H new ATOM 0 HG3 PRO A 32 -8.549 4.295 -12.209 1.00 1.52 H new ATOM 0 HD2 PRO A 32 -7.035 2.216 -11.225 1.00 62.03 H new ATOM 0 HD3 PRO A 32 -6.334 3.783 -11.578 1.00 62.03 H new ATOM 520 N ILE A 33 -9.658 3.817 -7.318 1.00 2.22 N ATOM 521 CA ILE A 33 -10.649 3.127 -6.510 1.00 30.00 C ATOM 522 C ILE A 33 -11.822 2.795 -7.433 1.00 45.11 C ATOM 523 O ILE A 33 -12.638 3.671 -7.722 1.00 73.35 O ATOM 524 CB ILE A 33 -10.990 4.035 -5.302 1.00 2.20 C ATOM 525 CG1 ILE A 33 -9.780 4.025 -4.344 1.00 50.45 C ATOM 526 CG2 ILE A 33 -12.260 3.626 -4.546 1.00 11.51 C ATOM 527 CD1 ILE A 33 -9.876 5.032 -3.201 1.00 44.33 C ATOM 0 H ILE A 33 -9.662 4.825 -7.163 1.00 2.22 H new ATOM 0 HA ILE A 33 -10.308 2.183 -6.085 1.00 30.00 H new ATOM 0 HB ILE A 33 -11.194 5.033 -5.690 1.00 2.20 H new ATOM 0 HG12 ILE A 33 -9.672 3.025 -3.924 1.00 50.45 H new ATOM 0 HG13 ILE A 33 -8.876 4.229 -4.917 1.00 50.45 H new ATOM 0 HG21 ILE A 33 -12.426 4.313 -3.716 1.00 11.51 H new ATOM 0 HG22 ILE A 33 -13.114 3.661 -5.223 1.00 11.51 H new ATOM 0 HG23 ILE A 33 -12.144 2.613 -4.161 1.00 11.51 H new ATOM 0 HD11 ILE A 33 -8.986 4.959 -2.576 1.00 44.33 H new ATOM 0 HD12 ILE A 33 -9.951 6.040 -3.609 1.00 44.33 H new ATOM 0 HD13 ILE A 33 -10.760 4.817 -2.600 1.00 44.33 H new ATOM 539 N ALA A 34 -11.874 1.570 -7.953 1.00 71.35 N ATOM 540 CA ALA A 34 -12.985 1.080 -8.759 1.00 50.32 C ATOM 541 C ALA A 34 -14.064 0.517 -7.830 1.00 51.34 C ATOM 542 O ALA A 34 -13.811 -0.439 -7.098 1.00 25.20 O ATOM 543 CB ALA A 34 -12.487 0.010 -9.735 1.00 41.43 C ATOM 0 H ALA A 34 -11.133 0.881 -7.823 1.00 71.35 H new ATOM 0 HA ALA A 34 -13.412 1.895 -9.343 1.00 50.32 H new ATOM 0 HB1 ALA A 34 -13.322 -0.352 -10.335 1.00 41.43 H new ATOM 0 HB2 ALA A 34 -11.729 0.440 -10.390 1.00 41.43 H new ATOM 0 HB3 ALA A 34 -12.055 -0.820 -9.176 1.00 41.43 H new ATOM 549 N LEU A 35 -15.245 1.133 -7.833 1.00 43.34 N ATOM 550 CA LEU A 35 -16.400 0.745 -7.019 1.00 31.12 C ATOM 551 C LEU A 35 -17.623 0.772 -7.931 1.00 50.53 C ATOM 552 O LEU A 35 -17.489 1.115 -9.107 1.00 33.02 O ATOM 553 CB LEU A 35 -16.590 1.665 -5.804 1.00 12.50 C ATOM 554 CG LEU A 35 -15.445 1.577 -4.786 1.00 43.43 C ATOM 555 CD1 LEU A 35 -15.506 2.794 -3.856 1.00 63.01 C ATOM 556 CD2 LEU A 35 -15.565 0.247 -4.046 1.00 44.34 C ATOM 0 H LEU A 35 -15.432 1.944 -8.422 1.00 43.34 H new ATOM 0 HA LEU A 35 -16.245 -0.253 -6.609 1.00 31.12 H new ATOM 0 HB2 LEU A 35 -16.681 2.695 -6.149 1.00 12.50 H new ATOM 0 HB3 LEU A 35 -17.527 1.411 -5.308 1.00 12.50 H new ATOM 0 HG LEU A 35 -14.468 1.599 -5.270 1.00 43.43 H new ATOM 0 HD11 LEU A 35 -14.695 2.738 -3.130 1.00 63.01 H new ATOM 0 HD12 LEU A 35 -15.405 3.706 -4.444 1.00 63.01 H new ATOM 0 HD13 LEU A 35 -16.462 2.804 -3.332 1.00 63.01 H new ATOM 0 HD21 LEU A 35 -14.760 0.163 -3.316 1.00 44.34 H new ATOM 0 HD22 LEU A 35 -16.526 0.201 -3.533 1.00 44.34 H new ATOM 0 HD23 LEU A 35 -15.495 -0.574 -4.760 1.00 44.34 H new ATOM 568 N LEU A 36 -18.792 0.433 -7.400 1.00 21.11 N ATOM 569 CA LEU A 36 -20.053 0.343 -8.132 1.00 11.50 C ATOM 570 C LEU A 36 -21.027 1.409 -7.649 1.00 13.30 C ATOM 571 O LEU A 36 -21.212 1.572 -6.442 1.00 64.12 O ATOM 572 CB LEU A 36 -20.653 -1.045 -7.909 1.00 45.21 C ATOM 573 CG LEU A 36 -19.876 -2.196 -8.569 1.00 13.41 C ATOM 574 CD1 LEU A 36 -20.637 -3.491 -8.279 1.00 54.53 C ATOM 575 CD2 LEU A 36 -19.680 -1.976 -10.074 1.00 73.42 C ATOM 0 H LEU A 36 -18.893 0.204 -6.411 1.00 21.11 H new ATOM 0 HA LEU A 36 -19.867 0.504 -9.194 1.00 11.50 H new ATOM 0 HB2 LEU A 36 -20.711 -1.232 -6.837 1.00 45.21 H new ATOM 0 HB3 LEU A 36 -21.674 -1.049 -8.289 1.00 45.21 H new ATOM 0 HG LEU A 36 -18.870 -2.248 -8.152 1.00 13.41 H new ATOM 0 HD11 LEU A 36 -20.112 -4.331 -8.734 1.00 54.53 H new ATOM 0 HD12 LEU A 36 -20.699 -3.643 -7.201 1.00 54.53 H new ATOM 0 HD13 LEU A 36 -21.642 -3.423 -8.695 1.00 54.53 H new ATOM 0 HD21 LEU A 36 -19.126 -2.815 -10.495 1.00 73.42 H new ATOM 0 HD22 LEU A 36 -20.653 -1.902 -10.561 1.00 73.42 H new ATOM 0 HD23 LEU A 36 -19.122 -1.054 -10.237 1.00 73.42 H new ATOM 587 N LYS A 37 -21.631 2.159 -8.577 1.00 33.11 N ATOM 588 CA LYS A 37 -22.583 3.213 -8.234 1.00 14.12 C ATOM 589 C LYS A 37 -23.962 2.665 -7.866 1.00 3.21 C ATOM 590 O LYS A 37 -24.227 1.465 -7.871 1.00 10.50 O ATOM 591 CB LYS A 37 -22.741 4.235 -9.367 1.00 51.13 C ATOM 592 CG LYS A 37 -21.452 4.610 -10.096 1.00 44.31 C ATOM 593 CD LYS A 37 -21.790 5.472 -11.306 1.00 45.25 C ATOM 594 CE LYS A 37 -22.263 6.874 -10.900 1.00 44.23 C ATOM 595 NZ LYS A 37 -23.168 7.481 -11.895 1.00 1.30 N ATOM 0 H LYS A 37 -21.473 2.051 -9.579 1.00 33.11 H new ATOM 0 HA LYS A 37 -22.161 3.707 -7.359 1.00 14.12 H new ATOM 0 HB2 LYS A 37 -23.448 3.838 -10.095 1.00 51.13 H new ATOM 0 HB3 LYS A 37 -23.183 5.143 -8.956 1.00 51.13 H new ATOM 0 HG2 LYS A 37 -20.785 5.151 -9.425 1.00 44.31 H new ATOM 0 HG3 LYS A 37 -20.925 3.710 -10.412 1.00 44.31 H new ATOM 0 HD2 LYS A 37 -20.912 5.557 -11.947 1.00 45.25 H new ATOM 0 HD3 LYS A 37 -22.567 4.983 -11.893 1.00 45.25 H new ATOM 0 HE2 LYS A 37 -22.773 6.816 -9.939 1.00 44.23 H new ATOM 0 HE3 LYS A 37 -21.396 7.520 -10.762 1.00 44.23 H new ATOM 0 HZ1 LYS A 37 -23.457 8.426 -11.571 1.00 1.30 H new ATOM 0 HZ2 LYS A 37 -22.676 7.563 -12.807 1.00 1.30 H new ATOM 0 HZ3 LYS A 37 -24.010 6.882 -12.009 1.00 1.30 H new ATOM 609 N ASP A 38 -24.853 3.607 -7.598 1.00 34.32 N ATOM 610 CA ASP A 38 -26.243 3.526 -7.171 1.00 21.31 C ATOM 611 C ASP A 38 -27.204 2.837 -8.164 1.00 62.21 C ATOM 612 O ASP A 38 -28.418 2.988 -8.034 1.00 23.40 O ATOM 613 CB ASP A 38 -26.645 4.985 -6.912 1.00 71.23 C ATOM 614 CG ASP A 38 -27.989 5.173 -6.215 1.00 25.31 C ATOM 615 OD1 ASP A 38 -28.236 4.470 -5.203 1.00 31.43 O ATOM 616 OD2 ASP A 38 -28.673 6.154 -6.577 1.00 4.40 O ATOM 0 H ASP A 38 -24.577 4.585 -7.688 1.00 34.32 H new ATOM 0 HA ASP A 38 -26.323 2.886 -6.293 1.00 21.31 H new ATOM 0 HB2 ASP A 38 -25.871 5.457 -6.307 1.00 71.23 H new ATOM 0 HB3 ASP A 38 -26.671 5.513 -7.865 1.00 71.23 H new ATOM 621 N ASP A 39 -26.728 2.077 -9.157 1.00 50.21 N ATOM 622 CA ASP A 39 -27.588 1.260 -10.031 1.00 42.34 C ATOM 623 C ASP A 39 -27.384 -0.239 -9.786 1.00 45.42 C ATOM 624 O ASP A 39 -28.124 -1.082 -10.292 1.00 42.35 O ATOM 625 CB ASP A 39 -27.329 1.616 -11.498 1.00 63.41 C ATOM 626 CG ASP A 39 -28.616 1.534 -12.310 1.00 42.54 C ATOM 627 OD1 ASP A 39 -29.440 2.458 -12.114 1.00 64.11 O ATOM 628 OD2 ASP A 39 -28.743 0.603 -13.145 1.00 65.23 O ATOM 0 H ASP A 39 -25.735 2.009 -9.380 1.00 50.21 H new ATOM 0 HA ASP A 39 -28.627 1.484 -9.791 1.00 42.34 H new ATOM 0 HB2 ASP A 39 -26.915 2.622 -11.565 1.00 63.41 H new ATOM 0 HB3 ASP A 39 -26.586 0.937 -11.916 1.00 63.41 H new ATOM 633 N GLY A 40 -26.373 -0.581 -8.983 1.00 21.42 N ATOM 634 CA GLY A 40 -25.768 -1.894 -8.961 1.00 63.44 C ATOM 635 C GLY A 40 -24.486 -1.779 -9.762 1.00 61.14 C ATOM 636 O GLY A 40 -23.657 -0.920 -9.480 1.00 23.20 O ATOM 0 H GLY A 40 -25.951 0.069 -8.320 1.00 21.42 H new ATOM 0 HA2 GLY A 40 -25.562 -2.211 -7.939 1.00 63.44 H new ATOM 0 HA3 GLY A 40 -26.435 -2.638 -9.397 1.00 63.44 H new ATOM 640 N GLU A 41 -24.321 -2.607 -10.787 1.00 63.13 N ATOM 641 CA GLU A 41 -23.041 -2.852 -11.465 1.00 42.24 C ATOM 642 C GLU A 41 -22.572 -1.750 -12.432 1.00 72.41 C ATOM 643 O GLU A 41 -21.828 -1.977 -13.389 1.00 65.03 O ATOM 644 CB GLU A 41 -23.045 -4.237 -12.083 1.00 33.20 C ATOM 645 CG GLU A 41 -24.144 -4.496 -13.117 1.00 62.13 C ATOM 646 CD GLU A 41 -23.920 -5.835 -13.820 1.00 30.22 C ATOM 647 OE1 GLU A 41 -23.388 -6.788 -13.206 1.00 41.22 O ATOM 648 OE2 GLU A 41 -24.228 -5.953 -15.024 1.00 41.34 O ATOM 0 H GLU A 41 -25.091 -3.144 -11.185 1.00 63.13 H new ATOM 0 HA GLU A 41 -22.274 -2.811 -10.692 1.00 42.24 H new ATOM 0 HB2 GLU A 41 -22.078 -4.407 -12.556 1.00 33.20 H new ATOM 0 HB3 GLU A 41 -23.142 -4.972 -11.284 1.00 33.20 H new ATOM 0 HG2 GLU A 41 -25.118 -4.495 -12.628 1.00 62.13 H new ATOM 0 HG3 GLU A 41 -24.156 -3.691 -13.852 1.00 62.13 H new ATOM 655 N THR A 42 -23.025 -0.540 -12.169 1.00 42.54 N ATOM 656 CA THR A 42 -22.571 0.714 -12.747 1.00 73.02 C ATOM 657 C THR A 42 -21.090 0.973 -12.476 1.00 61.34 C ATOM 658 O THR A 42 -20.688 1.116 -11.320 1.00 63.12 O ATOM 659 CB THR A 42 -23.392 1.886 -12.185 1.00 63.34 C ATOM 660 OG1 THR A 42 -24.144 1.561 -11.021 1.00 63.41 O ATOM 661 CG2 THR A 42 -24.290 2.417 -13.293 1.00 74.01 C ATOM 0 H THR A 42 -23.777 -0.395 -11.495 1.00 42.54 H new ATOM 0 HA THR A 42 -22.712 0.635 -13.825 1.00 73.02 H new ATOM 0 HB THR A 42 -22.693 2.654 -11.855 1.00 63.34 H new ATOM 0 HG1 THR A 42 -23.535 1.281 -10.306 1.00 63.41 H new ATOM 0 HG21 THR A 42 -24.882 3.250 -12.914 1.00 74.01 H new ATOM 0 HG22 THR A 42 -23.676 2.758 -14.127 1.00 74.01 H new ATOM 0 HG23 THR A 42 -24.956 1.624 -13.633 1.00 74.01 H new ATOM 669 N GLU A 43 -20.300 1.088 -13.540 1.00 65.33 N ATOM 670 CA GLU A 43 -18.861 1.311 -13.462 1.00 25.33 C ATOM 671 C GLU A 43 -18.525 2.700 -12.904 1.00 34.32 C ATOM 672 O GLU A 43 -19.169 3.697 -13.250 1.00 4.40 O ATOM 673 CB GLU A 43 -18.217 1.094 -14.842 1.00 4.14 C ATOM 674 CG GLU A 43 -18.658 2.102 -15.920 1.00 63.43 C ATOM 675 CD GLU A 43 -18.012 1.787 -17.266 1.00 42.14 C ATOM 676 OE1 GLU A 43 -18.465 0.868 -17.991 1.00 30.42 O ATOM 677 OE2 GLU A 43 -17.026 2.464 -17.625 1.00 3.13 O ATOM 0 H GLU A 43 -20.649 1.028 -14.497 1.00 65.33 H new ATOM 0 HA GLU A 43 -18.446 0.584 -12.764 1.00 25.33 H new ATOM 0 HB2 GLU A 43 -17.134 1.147 -14.735 1.00 4.14 H new ATOM 0 HB3 GLU A 43 -18.455 0.087 -15.185 1.00 4.14 H new ATOM 0 HG2 GLU A 43 -19.743 2.080 -16.020 1.00 63.43 H new ATOM 0 HG3 GLU A 43 -18.387 3.111 -15.611 1.00 63.43 H new ATOM 684 N GLN A 44 -17.475 2.788 -12.083 1.00 30.21 N ATOM 685 CA GLN A 44 -16.970 4.039 -11.537 1.00 22.34 C ATOM 686 C GLN A 44 -15.471 3.905 -11.256 1.00 4.42 C ATOM 687 O GLN A 44 -14.995 2.805 -10.972 1.00 50.31 O ATOM 688 CB GLN A 44 -17.709 4.279 -10.215 1.00 11.20 C ATOM 689 CG GLN A 44 -17.601 5.716 -9.705 1.00 1.30 C ATOM 690 CD GLN A 44 -17.876 5.833 -8.230 1.00 62.25 C ATOM 691 OE1 GLN A 44 -18.766 6.568 -7.825 1.00 64.23 O ATOM 692 NE2 GLN A 44 -17.083 5.156 -7.411 1.00 71.35 N ATOM 0 H GLN A 44 -16.945 1.972 -11.776 1.00 30.21 H new ATOM 0 HA GLN A 44 -17.126 4.862 -12.235 1.00 22.34 H new ATOM 0 HB2 GLN A 44 -18.761 4.027 -10.346 1.00 11.20 H new ATOM 0 HB3 GLN A 44 -17.311 3.603 -9.458 1.00 11.20 H new ATOM 0 HG2 GLN A 44 -16.602 6.097 -9.915 1.00 1.30 H new ATOM 0 HG3 GLN A 44 -18.304 6.345 -10.252 1.00 1.30 H new ATOM 0 HE21 GLN A 44 -16.353 4.554 -7.791 1.00 71.35 H new ATOM 0 HE22 GLN A 44 -17.203 5.238 -6.401 1.00 71.35 H new ATOM 701 N THR A 45 -14.744 5.024 -11.210 1.00 10.34 N ATOM 702 CA THR A 45 -13.440 5.123 -10.563 1.00 65.44 C ATOM 703 C THR A 45 -13.409 6.360 -9.661 1.00 30.24 C ATOM 704 O THR A 45 -14.087 7.352 -9.936 1.00 24.00 O ATOM 705 CB THR A 45 -12.315 5.164 -11.612 1.00 41.52 C ATOM 706 OG1 THR A 45 -12.572 6.128 -12.631 1.00 1.40 O ATOM 707 CG2 THR A 45 -12.094 3.779 -12.214 1.00 3.51 C ATOM 0 H THR A 45 -15.054 5.901 -11.630 1.00 10.34 H new ATOM 0 HA THR A 45 -13.276 4.240 -9.945 1.00 65.44 H new ATOM 0 HB THR A 45 -11.402 5.472 -11.103 1.00 41.52 H new ATOM 0 HG1 THR A 45 -11.835 6.126 -13.277 1.00 1.40 H new ATOM 0 HG21 THR A 45 -11.295 3.827 -12.954 1.00 3.51 H new ATOM 0 HG22 THR A 45 -11.817 3.079 -11.425 1.00 3.51 H new ATOM 0 HG23 THR A 45 -13.012 3.440 -12.693 1.00 3.51 H new ATOM 715 N PHE A 46 -12.597 6.335 -8.607 1.00 12.21 N ATOM 716 CA PHE A 46 -12.277 7.474 -7.755 1.00 54.41 C ATOM 717 C PHE A 46 -10.749 7.610 -7.712 1.00 12.23 C ATOM 718 O PHE A 46 -10.046 6.593 -7.688 1.00 54.54 O ATOM 719 CB PHE A 46 -12.869 7.253 -6.350 1.00 42.12 C ATOM 720 CG PHE A 46 -14.133 8.032 -6.038 1.00 42.45 C ATOM 721 CD1 PHE A 46 -15.288 7.881 -6.824 1.00 31.01 C ATOM 722 CD2 PHE A 46 -14.172 8.885 -4.921 1.00 64.43 C ATOM 723 CE1 PHE A 46 -16.465 8.570 -6.486 1.00 61.13 C ATOM 724 CE2 PHE A 46 -15.351 9.569 -4.580 1.00 64.14 C ATOM 725 CZ PHE A 46 -16.506 9.402 -5.358 1.00 45.34 C ATOM 0 H PHE A 46 -12.124 5.481 -8.312 1.00 12.21 H new ATOM 0 HA PHE A 46 -12.709 8.395 -8.147 1.00 54.41 H new ATOM 0 HB2 PHE A 46 -13.080 6.191 -6.228 1.00 42.12 H new ATOM 0 HB3 PHE A 46 -12.111 7.515 -5.611 1.00 42.12 H new ATOM 0 HD1 PHE A 46 -15.271 7.235 -7.689 1.00 31.01 H new ATOM 0 HD2 PHE A 46 -13.286 9.016 -4.318 1.00 64.43 H new ATOM 0 HE1 PHE A 46 -17.346 8.458 -7.101 1.00 61.13 H new ATOM 0 HE2 PHE A 46 -15.368 10.222 -3.720 1.00 64.14 H new ATOM 0 HZ PHE A 46 -17.420 9.911 -5.090 1.00 45.34 H new ATOM 735 N PRO A 47 -10.210 8.839 -7.658 1.00 13.12 N ATOM 736 CA PRO A 47 -8.773 9.060 -7.707 1.00 51.21 C ATOM 737 C PRO A 47 -8.114 8.602 -6.398 1.00 41.32 C ATOM 738 O PRO A 47 -8.447 9.096 -5.311 1.00 10.12 O ATOM 739 CB PRO A 47 -8.611 10.560 -7.976 1.00 72.25 C ATOM 740 CG PRO A 47 -9.872 11.178 -7.369 1.00 30.23 C ATOM 741 CD PRO A 47 -10.930 10.108 -7.627 1.00 2.53 C ATOM 0 HA PRO A 47 -8.277 8.481 -8.486 1.00 51.21 H new ATOM 0 HB2 PRO A 47 -7.708 10.955 -7.510 1.00 72.25 H new ATOM 0 HB3 PRO A 47 -8.537 10.769 -9.043 1.00 72.25 H new ATOM 0 HG2 PRO A 47 -9.752 11.380 -6.305 1.00 30.23 H new ATOM 0 HG3 PRO A 47 -10.129 12.124 -7.846 1.00 30.23 H new ATOM 0 HD2 PRO A 47 -11.687 10.109 -6.843 1.00 2.53 H new ATOM 0 HD3 PRO A 47 -11.447 10.288 -8.570 1.00 2.53 H new ATOM 749 N PHE A 48 -7.170 7.655 -6.488 1.00 52.52 N ATOM 750 CA PHE A 48 -6.405 7.235 -5.322 1.00 70.33 C ATOM 751 C PHE A 48 -5.307 8.274 -5.078 1.00 24.00 C ATOM 752 O PHE A 48 -4.197 8.171 -5.598 1.00 61.45 O ATOM 753 CB PHE A 48 -5.902 5.785 -5.399 1.00 21.11 C ATOM 754 CG PHE A 48 -5.785 5.111 -4.032 1.00 21.03 C ATOM 755 CD1 PHE A 48 -5.141 5.747 -2.947 1.00 74.33 C ATOM 756 CD2 PHE A 48 -6.354 3.839 -3.827 1.00 45.53 C ATOM 757 CE1 PHE A 48 -5.105 5.145 -1.676 1.00 42.25 C ATOM 758 CE2 PHE A 48 -6.320 3.236 -2.558 1.00 63.25 C ATOM 759 CZ PHE A 48 -5.709 3.893 -1.478 1.00 2.12 C ATOM 0 H PHE A 48 -6.924 7.173 -7.352 1.00 52.52 H new ATOM 0 HA PHE A 48 -7.059 7.206 -4.451 1.00 70.33 H new ATOM 0 HB2 PHE A 48 -6.580 5.205 -6.025 1.00 21.11 H new ATOM 0 HB3 PHE A 48 -4.928 5.771 -5.887 1.00 21.11 H new ATOM 0 HD1 PHE A 48 -4.670 6.708 -3.095 1.00 74.33 H new ATOM 0 HD2 PHE A 48 -6.821 3.322 -4.653 1.00 45.53 H new ATOM 0 HE1 PHE A 48 -4.614 5.645 -0.854 1.00 42.25 H new ATOM 0 HE2 PHE A 48 -6.766 2.263 -2.413 1.00 63.25 H new ATOM 0 HZ PHE A 48 -5.704 3.437 -0.499 1.00 2.12 H new ATOM 769 N THR A 49 -5.652 9.326 -4.345 1.00 4.44 N ATOM 770 CA THR A 49 -4.783 10.418 -3.923 1.00 71.21 C ATOM 771 C THR A 49 -4.043 10.040 -2.628 1.00 1.11 C ATOM 772 O THR A 49 -4.226 8.954 -2.074 1.00 3.12 O ATOM 773 CB THR A 49 -5.687 11.659 -3.746 1.00 23.01 C ATOM 774 OG1 THR A 49 -6.818 11.314 -2.953 1.00 30.02 O ATOM 775 CG2 THR A 49 -6.173 12.171 -5.105 1.00 74.25 C ATOM 0 H THR A 49 -6.607 9.447 -4.008 1.00 4.44 H new ATOM 0 HA THR A 49 -4.009 10.630 -4.660 1.00 71.21 H new ATOM 0 HB THR A 49 -5.107 12.441 -3.256 1.00 23.01 H new ATOM 0 HG1 THR A 49 -7.390 12.101 -2.839 1.00 30.02 H new ATOM 0 HG21 THR A 49 -6.808 13.045 -4.959 1.00 74.25 H new ATOM 0 HG22 THR A 49 -5.315 12.445 -5.719 1.00 74.25 H new ATOM 0 HG23 THR A 49 -6.743 11.388 -5.606 1.00 74.25 H new ATOM 783 N ARG A 50 -3.223 10.944 -2.079 1.00 22.20 N ATOM 784 CA ARG A 50 -2.695 10.791 -0.719 1.00 73.32 C ATOM 785 C ARG A 50 -3.794 10.903 0.349 1.00 74.41 C ATOM 786 O ARG A 50 -3.601 10.426 1.465 1.00 22.34 O ATOM 787 CB ARG A 50 -1.539 11.789 -0.515 1.00 54.44 C ATOM 788 CG ARG A 50 -0.964 11.804 0.913 1.00 2.54 C ATOM 789 CD ARG A 50 -1.492 13.012 1.696 1.00 21.22 C ATOM 790 NE ARG A 50 -1.427 12.838 3.153 1.00 65.24 N ATOM 791 CZ ARG A 50 -0.990 13.726 4.055 1.00 63.45 C ATOM 792 NH1 ARG A 50 -0.509 14.913 3.689 1.00 70.43 N ATOM 793 NH2 ARG A 50 -1.060 13.400 5.336 1.00 31.30 N ATOM 0 H ARG A 50 -2.911 11.790 -2.556 1.00 22.20 H new ATOM 0 HA ARG A 50 -2.298 9.783 -0.597 1.00 73.32 H new ATOM 0 HB2 ARG A 50 -0.738 11.549 -1.215 1.00 54.44 H new ATOM 0 HB3 ARG A 50 -1.890 12.790 -0.764 1.00 54.44 H new ATOM 0 HG2 ARG A 50 -1.235 10.883 1.429 1.00 2.54 H new ATOM 0 HG3 ARG A 50 0.125 11.838 0.872 1.00 2.54 H new ATOM 0 HD2 ARG A 50 -0.917 13.895 1.417 1.00 21.22 H new ATOM 0 HD3 ARG A 50 -2.526 13.200 1.406 1.00 21.22 H new ATOM 0 HE ARG A 50 -1.750 11.942 3.518 1.00 65.24 H new ATOM 0 HH11 ARG A 50 -0.467 15.164 2.701 1.00 70.43 H new ATOM 0 HH12 ARG A 50 -0.183 15.571 4.397 1.00 70.43 H new ATOM 0 HH21 ARG A 50 -1.439 12.494 5.612 1.00 31.30 H new ATOM 0 HH22 ARG A 50 -0.735 14.055 6.047 1.00 31.30 H new ATOM 807 N GLU A 51 -4.953 11.472 0.020 1.00 54.32 N ATOM 808 CA GLU A 51 -6.009 11.855 0.953 1.00 25.03 C ATOM 809 C GLU A 51 -6.865 10.644 1.381 1.00 62.41 C ATOM 810 O GLU A 51 -8.091 10.642 1.236 1.00 62.34 O ATOM 811 CB GLU A 51 -6.860 12.953 0.291 1.00 53.14 C ATOM 812 CG GLU A 51 -7.478 13.861 1.361 1.00 62.24 C ATOM 813 CD GLU A 51 -6.426 14.781 1.997 1.00 12.34 C ATOM 814 OE1 GLU A 51 -5.478 15.231 1.313 1.00 43.45 O ATOM 815 OE2 GLU A 51 -6.484 14.989 3.231 1.00 2.10 O ATOM 0 H GLU A 51 -5.191 11.688 -0.948 1.00 54.32 H new ATOM 0 HA GLU A 51 -5.564 12.241 1.870 1.00 25.03 H new ATOM 0 HB2 GLU A 51 -6.242 13.544 -0.385 1.00 53.14 H new ATOM 0 HB3 GLU A 51 -7.648 12.500 -0.311 1.00 53.14 H new ATOM 0 HG2 GLU A 51 -8.268 14.465 0.915 1.00 62.24 H new ATOM 0 HG3 GLU A 51 -7.943 13.249 2.134 1.00 62.24 H new ATOM 822 N LYS A 52 -6.192 9.550 1.756 1.00 73.02 N ATOM 823 CA LYS A 52 -6.731 8.204 1.958 1.00 4.31 C ATOM 824 C LYS A 52 -5.627 7.182 2.265 1.00 53.54 C ATOM 825 O LYS A 52 -5.933 5.997 2.385 1.00 71.43 O ATOM 826 CB LYS A 52 -7.565 7.784 0.731 1.00 41.33 C ATOM 827 CG LYS A 52 -6.975 8.167 -0.630 1.00 1.23 C ATOM 828 CD LYS A 52 -7.860 7.669 -1.758 1.00 41.25 C ATOM 829 CE LYS A 52 -9.291 8.209 -1.744 1.00 14.31 C ATOM 830 NZ LYS A 52 -9.362 9.667 -1.962 1.00 62.15 N ATOM 0 H LYS A 52 -5.189 9.586 1.938 1.00 73.02 H new ATOM 0 HA LYS A 52 -7.382 8.226 2.832 1.00 4.31 H new ATOM 0 HB2 LYS A 52 -7.699 6.703 0.758 1.00 41.33 H new ATOM 0 HB3 LYS A 52 -8.556 8.231 0.817 1.00 41.33 H new ATOM 0 HG2 LYS A 52 -6.870 9.250 -0.695 1.00 1.23 H new ATOM 0 HG3 LYS A 52 -5.976 7.743 -0.731 1.00 1.23 H new ATOM 0 HD2 LYS A 52 -7.397 7.935 -2.708 1.00 41.25 H new ATOM 0 HD3 LYS A 52 -7.898 6.580 -1.716 1.00 41.25 H new ATOM 0 HE2 LYS A 52 -9.871 7.704 -2.516 1.00 14.31 H new ATOM 0 HE3 LYS A 52 -9.755 7.968 -0.788 1.00 14.31 H new ATOM 0 HZ1 LYS A 52 -9.635 10.138 -1.076 1.00 62.15 H new ATOM 0 HZ2 LYS A 52 -8.432 10.018 -2.268 1.00 62.15 H new ATOM 0 HZ3 LYS A 52 -10.069 9.874 -2.696 1.00 62.15 H new ATOM 844 N TRP A 53 -4.348 7.580 2.316 1.00 42.24 N ATOM 845 CA TRP A 53 -3.248 6.634 2.427 1.00 4.33 C ATOM 846 C TRP A 53 -2.922 6.360 3.906 1.00 65.25 C ATOM 847 O TRP A 53 -2.876 7.307 4.691 1.00 45.42 O ATOM 848 CB TRP A 53 -2.035 7.162 1.653 1.00 62.22 C ATOM 849 CG TRP A 53 -0.799 6.338 1.868 1.00 64.11 C ATOM 850 CD1 TRP A 53 -0.037 6.300 2.989 1.00 61.42 C ATOM 851 CD2 TRP A 53 -0.326 5.239 1.043 1.00 31.01 C ATOM 852 NE1 TRP A 53 0.848 5.243 2.911 1.00 61.32 N ATOM 853 CE2 TRP A 53 0.642 4.494 1.777 1.00 10.13 C ATOM 854 CE3 TRP A 53 -0.699 4.753 -0.222 1.00 65.15 C ATOM 855 CZ2 TRP A 53 1.139 3.263 1.328 1.00 32.41 C ATOM 856 CZ3 TRP A 53 -0.142 3.565 -0.722 1.00 73.01 C ATOM 857 CH2 TRP A 53 0.751 2.808 0.062 1.00 54.53 C ATOM 0 H TRP A 53 -4.057 8.557 2.281 1.00 42.24 H new ATOM 0 HA TRP A 53 -3.537 5.681 1.984 1.00 4.33 H new ATOM 0 HB2 TRP A 53 -2.271 7.183 0.589 1.00 62.22 H new ATOM 0 HB3 TRP A 53 -1.837 8.190 1.956 1.00 62.22 H new ATOM 0 HD1 TRP A 53 -0.111 6.991 3.816 1.00 61.42 H new ATOM 0 HE1 TRP A 53 1.565 5.043 3.608 1.00 61.32 H new ATOM 0 HE3 TRP A 53 -1.420 5.298 -0.814 1.00 65.15 H new ATOM 0 HZ2 TRP A 53 1.806 2.679 1.944 1.00 32.41 H new ATOM 0 HZ3 TRP A 53 -0.400 3.229 -1.715 1.00 73.01 H new ATOM 0 HH2 TRP A 53 1.138 1.873 -0.315 1.00 54.53 H new ATOM 868 N ALA A 54 -2.595 5.104 4.242 1.00 44.31 N ATOM 869 CA ALA A 54 -2.295 4.590 5.579 1.00 13.42 C ATOM 870 C ALA A 54 -0.938 3.926 5.673 1.00 62.45 C ATOM 871 O ALA A 54 -0.385 3.436 4.687 1.00 32.32 O ATOM 872 CB ALA A 54 -3.330 3.499 5.897 1.00 1.52 C ATOM 0 H ALA A 54 -2.530 4.372 3.535 1.00 44.31 H new ATOM 0 HA ALA A 54 -2.314 5.437 6.264 1.00 13.42 H new ATOM 0 HB1 ALA A 54 -3.136 3.092 6.889 1.00 1.52 H new ATOM 0 HB2 ALA A 54 -4.331 3.929 5.870 1.00 1.52 H new ATOM 0 HB3 ALA A 54 -3.257 2.702 5.157 1.00 1.52 H new ATOM 878 N LEU A 55 -0.420 3.971 6.897 1.00 53.25 N ATOM 879 CA LEU A 55 0.989 3.901 7.182 1.00 65.34 C ATOM 880 C LEU A 55 1.373 2.523 7.671 1.00 5.14 C ATOM 881 O LEU A 55 0.890 2.076 8.709 1.00 44.24 O ATOM 882 CB LEU A 55 1.387 4.986 8.175 1.00 22.42 C ATOM 883 CG LEU A 55 0.847 6.391 7.850 1.00 41.23 C ATOM 884 CD1 LEU A 55 0.751 6.778 6.377 1.00 41.13 C ATOM 885 CD2 LEU A 55 -0.349 6.819 8.677 1.00 31.11 C ATOM 0 H LEU A 55 -0.995 4.060 7.735 1.00 53.25 H new ATOM 0 HA LEU A 55 1.540 4.080 6.259 1.00 65.34 H new ATOM 0 HB2 LEU A 55 1.036 4.698 9.166 1.00 22.42 H new ATOM 0 HB3 LEU A 55 2.475 5.033 8.223 1.00 22.42 H new ATOM 0 HG LEU A 55 1.674 7.012 8.194 1.00 41.23 H new ATOM 0 HD11 LEU A 55 0.356 7.790 6.292 1.00 41.13 H new ATOM 0 HD12 LEU A 55 1.742 6.736 5.924 1.00 41.13 H new ATOM 0 HD13 LEU A 55 0.086 6.085 5.861 1.00 41.13 H new ATOM 0 HD21 LEU A 55 -0.659 7.820 8.378 1.00 31.11 H new ATOM 0 HD22 LEU A 55 -1.171 6.122 8.516 1.00 31.11 H new ATOM 0 HD23 LEU A 55 -0.079 6.823 9.733 1.00 31.11 H new ATOM 897 N LEU A 56 2.197 1.835 6.883 1.00 64.04 N ATOM 898 CA LEU A 56 2.475 0.421 7.109 1.00 70.45 C ATOM 899 C LEU A 56 3.752 0.232 7.928 1.00 53.23 C ATOM 900 O LEU A 56 4.629 1.107 7.945 1.00 62.14 O ATOM 901 CB LEU A 56 2.552 -0.328 5.773 1.00 13.32 C ATOM 902 CG LEU A 56 1.386 -0.053 4.803 1.00 70.31 C ATOM 903 CD1 LEU A 56 1.578 -0.844 3.503 1.00 33.00 C ATOM 904 CD2 LEU A 56 0.021 -0.382 5.415 1.00 52.22 C ATOM 0 H LEU A 56 2.684 2.236 6.081 1.00 64.04 H new ATOM 0 HA LEU A 56 1.654 -0.001 7.688 1.00 70.45 H new ATOM 0 HB2 LEU A 56 3.486 -0.063 5.278 1.00 13.32 H new ATOM 0 HB3 LEU A 56 2.591 -1.398 5.976 1.00 13.32 H new ATOM 0 HG LEU A 56 1.397 1.016 4.590 1.00 70.31 H new ATOM 0 HD11 LEU A 56 0.747 -0.640 2.827 1.00 33.00 H new ATOM 0 HD12 LEU A 56 2.513 -0.544 3.029 1.00 33.00 H new ATOM 0 HD13 LEU A 56 1.610 -1.910 3.727 1.00 33.00 H new ATOM 0 HD21 LEU A 56 -0.764 -0.170 4.689 1.00 52.22 H new ATOM 0 HD22 LEU A 56 -0.011 -1.437 5.686 1.00 52.22 H new ATOM 0 HD23 LEU A 56 -0.135 0.226 6.306 1.00 52.22 H new ATOM 916 N ASP A 57 3.857 -0.929 8.578 1.00 74.43 N ATOM 917 CA ASP A 57 4.883 -1.222 9.576 1.00 43.23 C ATOM 918 C ASP A 57 6.099 -1.849 8.912 1.00 25.30 C ATOM 919 O ASP A 57 6.048 -2.361 7.788 1.00 34.40 O ATOM 920 CB ASP A 57 4.379 -2.234 10.616 1.00 14.52 C ATOM 921 CG ASP A 57 3.258 -1.686 11.483 1.00 34.43 C ATOM 922 OD1 ASP A 57 3.604 -1.028 12.486 1.00 34.22 O ATOM 923 OD2 ASP A 57 2.067 -1.949 11.204 1.00 72.42 O ATOM 0 H ASP A 57 3.216 -1.707 8.420 1.00 74.43 H new ATOM 0 HA ASP A 57 5.134 -0.276 10.057 1.00 43.23 H new ATOM 0 HB2 ASP A 57 4.029 -3.130 10.103 1.00 14.52 H new ATOM 0 HB3 ASP A 57 5.210 -2.536 11.254 1.00 14.52 H new ATOM 928 N GLU A 58 7.197 -1.916 9.664 1.00 25.21 N ATOM 929 CA GLU A 58 8.455 -2.430 9.156 1.00 72.34 C ATOM 930 C GLU A 58 8.365 -3.919 8.805 1.00 34.21 C ATOM 931 O GLU A 58 9.069 -4.411 7.922 1.00 3.24 O ATOM 932 CB GLU A 58 9.555 -2.165 10.193 1.00 71.02 C ATOM 933 CG GLU A 58 10.882 -2.121 9.451 1.00 2.52 C ATOM 934 CD GLU A 58 12.096 -2.382 10.326 1.00 23.20 C ATOM 935 OE1 GLU A 58 12.394 -3.578 10.568 1.00 33.00 O ATOM 936 OE2 GLU A 58 12.865 -1.443 10.608 1.00 21.41 O ATOM 0 H GLU A 58 7.233 -1.615 10.638 1.00 25.21 H new ATOM 0 HA GLU A 58 8.699 -1.912 8.228 1.00 72.34 H new ATOM 0 HB2 GLU A 58 9.374 -1.223 10.711 1.00 71.02 H new ATOM 0 HB3 GLU A 58 9.565 -2.949 10.950 1.00 71.02 H new ATOM 0 HG2 GLU A 58 10.861 -2.859 8.649 1.00 2.52 H new ATOM 0 HG3 GLU A 58 10.990 -1.143 8.982 1.00 2.52 H new ATOM 943 N GLU A 59 7.502 -4.629 9.518 1.00 34.20 N ATOM 944 CA GLU A 59 7.153 -6.020 9.275 1.00 44.41 C ATOM 945 C GLU A 59 5.964 -6.202 8.328 1.00 32.14 C ATOM 946 O GLU A 59 5.741 -7.320 7.868 1.00 62.04 O ATOM 947 CB GLU A 59 6.768 -6.689 10.585 1.00 13.40 C ATOM 948 CG GLU A 59 7.881 -6.821 11.619 1.00 52.51 C ATOM 949 CD GLU A 59 7.352 -7.690 12.754 1.00 13.23 C ATOM 950 OE1 GLU A 59 7.416 -8.935 12.637 1.00 24.24 O ATOM 951 OE2 GLU A 59 6.870 -7.132 13.767 1.00 42.13 O ATOM 0 H GLU A 59 7.005 -4.233 10.316 1.00 34.20 H new ATOM 0 HA GLU A 59 8.036 -6.464 8.816 1.00 44.41 H new ATOM 0 HB2 GLU A 59 5.949 -6.125 11.031 1.00 13.40 H new ATOM 0 HB3 GLU A 59 6.385 -7.685 10.363 1.00 13.40 H new ATOM 0 HG2 GLU A 59 8.767 -7.271 11.173 1.00 52.51 H new ATOM 0 HG3 GLU A 59 8.176 -5.840 11.992 1.00 52.51 H new ATOM 958 N THR A 60 5.190 -5.162 8.018 1.00 73.34 N ATOM 959 CA THR A 60 4.208 -5.292 6.948 1.00 32.43 C ATOM 960 C THR A 60 4.964 -5.385 5.619 1.00 30.12 C ATOM 961 O THR A 60 4.564 -6.138 4.733 1.00 32.02 O ATOM 962 CB THR A 60 3.225 -4.118 7.000 1.00 63.32 C ATOM 963 OG1 THR A 60 2.489 -4.166 8.212 1.00 25.11 O ATOM 964 CG2 THR A 60 2.234 -4.151 5.834 1.00 12.44 C ATOM 0 H THR A 60 5.221 -4.251 8.476 1.00 73.34 H new ATOM 0 HA THR A 60 3.610 -6.196 7.062 1.00 32.43 H new ATOM 0 HB THR A 60 3.811 -3.201 6.935 1.00 63.32 H new ATOM 0 HG1 THR A 60 1.862 -3.413 8.244 1.00 25.11 H new ATOM 0 HG21 THR A 60 1.555 -3.301 5.909 1.00 12.44 H new ATOM 0 HG22 THR A 60 2.779 -4.098 4.892 1.00 12.44 H new ATOM 0 HG23 THR A 60 1.661 -5.077 5.870 1.00 12.44 H new ATOM 972 N LEU A 61 6.092 -4.679 5.500 1.00 4.22 N ATOM 973 CA LEU A 61 6.997 -4.743 4.371 1.00 62.32 C ATOM 974 C LEU A 61 8.088 -5.749 4.739 1.00 53.42 C ATOM 975 O LEU A 61 9.261 -5.375 4.868 1.00 63.23 O ATOM 976 CB LEU A 61 7.575 -3.340 4.078 1.00 21.23 C ATOM 977 CG LEU A 61 6.680 -2.318 3.351 1.00 63.43 C ATOM 978 CD1 LEU A 61 6.295 -2.824 1.961 1.00 72.05 C ATOM 979 CD2 LEU A 61 5.432 -1.864 4.112 1.00 63.13 C ATOM 0 H LEU A 61 6.403 -4.026 6.219 1.00 4.22 H new ATOM 0 HA LEU A 61 6.490 -5.065 3.461 1.00 62.32 H new ATOM 0 HB2 LEU A 61 7.878 -2.900 5.028 1.00 21.23 H new ATOM 0 HB3 LEU A 61 8.480 -3.471 3.485 1.00 21.23 H new ATOM 0 HG LEU A 61 7.302 -1.426 3.275 1.00 63.43 H new ATOM 0 HD11 LEU A 61 5.663 -2.086 1.467 1.00 72.05 H new ATOM 0 HD12 LEU A 61 7.196 -2.984 1.369 1.00 72.05 H new ATOM 0 HD13 LEU A 61 5.750 -3.764 2.054 1.00 72.05 H new ATOM 0 HD21 LEU A 61 4.878 -1.146 3.507 1.00 63.13 H new ATOM 0 HD22 LEU A 61 4.800 -2.727 4.322 1.00 63.13 H new ATOM 0 HD23 LEU A 61 5.728 -1.395 5.050 1.00 63.13 H new ATOM 991 N LYS A 62 7.714 -7.011 4.972 1.00 14.43 N ATOM 992 CA LYS A 62 8.650 -8.090 5.197 1.00 13.50 C ATOM 993 C LYS A 62 8.197 -9.333 4.468 1.00 71.02 C ATOM 994 O LYS A 62 7.000 -9.601 4.379 1.00 61.34 O ATOM 995 CB LYS A 62 8.705 -8.461 6.668 1.00 25.21 C ATOM 996 CG LYS A 62 10.043 -8.213 7.350 1.00 54.22 C ATOM 997 CD LYS A 62 9.902 -8.813 8.753 1.00 5.23 C ATOM 998 CE LYS A 62 11.112 -8.676 9.675 1.00 34.00 C ATOM 999 NZ LYS A 62 12.039 -9.815 9.522 1.00 42.51 N ATOM 0 H LYS A 62 6.738 -7.304 5.008 1.00 14.43 H new ATOM 0 HA LYS A 62 9.623 -7.747 4.844 1.00 13.50 H new ATOM 0 HB2 LYS A 62 7.936 -7.898 7.197 1.00 25.21 H new ATOM 0 HB3 LYS A 62 8.454 -9.517 6.769 1.00 25.21 H new ATOM 0 HG2 LYS A 62 10.857 -8.685 6.801 1.00 54.22 H new ATOM 0 HG3 LYS A 62 10.267 -7.147 7.399 1.00 54.22 H new ATOM 0 HD2 LYS A 62 9.047 -8.345 9.240 1.00 5.23 H new ATOM 0 HD3 LYS A 62 9.670 -9.873 8.650 1.00 5.23 H new ATOM 0 HE2 LYS A 62 11.636 -7.746 9.454 1.00 34.00 H new ATOM 0 HE3 LYS A 62 10.777 -8.614 10.710 1.00 34.00 H new ATOM 0 HZ1 LYS A 62 12.850 -9.691 10.162 1.00 42.51 H new ATOM 0 HZ2 LYS A 62 11.544 -10.699 9.757 1.00 42.51 H new ATOM 0 HZ3 LYS A 62 12.377 -9.858 8.539 1.00 42.51 H new ATOM 1013 N GLU A 63 9.175 -10.173 4.151 1.00 51.33 N ATOM 1014 CA GLU A 63 8.958 -11.354 3.325 1.00 44.35 C ATOM 1015 C GLU A 63 9.041 -12.626 4.170 1.00 10.50 C ATOM 1016 O GLU A 63 9.573 -12.628 5.292 1.00 61.22 O ATOM 1017 CB GLU A 63 9.962 -11.411 2.151 1.00 23.14 C ATOM 1018 CG GLU A 63 10.143 -10.122 1.329 1.00 25.30 C ATOM 1019 CD GLU A 63 9.051 -9.092 1.523 1.00 33.24 C ATOM 1020 OE1 GLU A 63 7.879 -9.429 1.237 1.00 74.21 O ATOM 1021 OE2 GLU A 63 9.415 -8.006 2.039 1.00 54.12 O ATOM 0 H GLU A 63 10.140 -10.055 4.459 1.00 51.33 H new ATOM 0 HA GLU A 63 7.956 -11.285 2.902 1.00 44.35 H new ATOM 0 HB2 GLU A 63 10.935 -11.699 2.550 1.00 23.14 H new ATOM 0 HB3 GLU A 63 9.648 -12.205 1.473 1.00 23.14 H new ATOM 0 HG2 GLU A 63 11.100 -9.671 1.591 1.00 25.30 H new ATOM 0 HG3 GLU A 63 10.193 -10.385 0.272 1.00 25.30 H new ATOM 1028 N GLY A 64 8.545 -13.718 3.598 1.00 24.04 N ATOM 1029 CA GLY A 64 8.572 -15.064 4.137 1.00 13.21 C ATOM 1030 C GLY A 64 7.202 -15.715 3.973 1.00 3.34 C ATOM 1031 O GLY A 64 6.312 -15.163 3.314 1.00 43.33 O ATOM 0 H GLY A 64 8.085 -13.679 2.688 1.00 24.04 H new ATOM 0 HA2 GLY A 64 9.330 -15.656 3.623 1.00 13.21 H new ATOM 0 HA3 GLY A 64 8.848 -15.038 5.191 1.00 13.21 H new ATOM 1035 N ARG A 65 7.026 -16.908 4.540 1.00 72.02 N ATOM 1036 CA ARG A 65 5.703 -17.514 4.699 1.00 61.02 C ATOM 1037 C ARG A 65 5.383 -17.615 6.186 1.00 2.23 C ATOM 1038 O ARG A 65 6.300 -17.634 7.020 1.00 12.32 O ATOM 1039 CB ARG A 65 5.587 -18.844 3.931 1.00 0.22 C ATOM 1040 CG ARG A 65 6.061 -20.097 4.683 1.00 23.32 C ATOM 1041 CD ARG A 65 5.906 -21.312 3.763 1.00 54.53 C ATOM 1042 NE ARG A 65 5.995 -22.588 4.487 1.00 72.04 N ATOM 1043 CZ ARG A 65 5.471 -23.748 4.071 1.00 1.54 C ATOM 1044 NH1 ARG A 65 5.012 -23.885 2.828 1.00 74.40 N ATOM 1045 NH2 ARG A 65 5.442 -24.774 4.916 1.00 4.24 N ATOM 0 H ARG A 65 7.791 -17.479 4.900 1.00 72.02 H new ATOM 0 HA ARG A 65 4.942 -16.879 4.246 1.00 61.02 H new ATOM 0 HB2 ARG A 65 4.545 -18.987 3.647 1.00 0.22 H new ATOM 0 HB3 ARG A 65 6.160 -18.759 3.008 1.00 0.22 H new ATOM 0 HG2 ARG A 65 7.102 -19.984 4.987 1.00 23.32 H new ATOM 0 HG3 ARG A 65 5.477 -20.235 5.593 1.00 23.32 H new ATOM 0 HD2 ARG A 65 4.945 -21.255 3.252 1.00 54.53 H new ATOM 0 HD3 ARG A 65 6.678 -21.281 2.994 1.00 54.53 H new ATOM 0 HE ARG A 65 6.495 -22.590 5.376 1.00 72.04 H new ATOM 0 HH11 ARG A 65 5.057 -23.100 2.178 1.00 74.40 H new ATOM 0 HH12 ARG A 65 4.616 -24.775 2.526 1.00 74.40 H new ATOM 0 HH21 ARG A 65 5.814 -24.668 5.860 1.00 4.24 H new ATOM 0 HH22 ARG A 65 5.047 -25.667 4.621 1.00 4.24 H new ATOM 1059 N THR A 66 4.108 -17.753 6.506 1.00 4.15 N ATOM 1060 CA THR A 66 3.552 -17.863 7.844 1.00 74.23 C ATOM 1061 C THR A 66 2.457 -18.927 7.771 1.00 2.33 C ATOM 1062 O THR A 66 1.880 -19.132 6.702 1.00 11.23 O ATOM 1063 CB THR A 66 3.018 -16.473 8.228 1.00 44.44 C ATOM 1064 OG1 THR A 66 4.106 -15.571 8.318 1.00 61.22 O ATOM 1065 CG2 THR A 66 2.239 -16.437 9.540 1.00 33.11 C ATOM 0 H THR A 66 3.384 -17.794 5.789 1.00 4.15 H new ATOM 0 HA THR A 66 4.273 -18.163 8.605 1.00 74.23 H new ATOM 0 HB THR A 66 2.314 -16.190 7.445 1.00 44.44 H new ATOM 0 HG1 THR A 66 3.774 -14.681 8.561 1.00 61.22 H new ATOM 0 HG21 THR A 66 1.899 -15.420 9.734 1.00 33.11 H new ATOM 0 HG22 THR A 66 1.377 -17.100 9.469 1.00 33.11 H new ATOM 0 HG23 THR A 66 2.884 -16.766 10.355 1.00 33.11 H new ATOM 1146 N THR A 73 -1.606 -21.008 4.802 1.00 13.12 N ATOM 1147 CA THR A 73 -0.263 -20.481 4.740 1.00 12.54 C ATOM 1148 C THR A 73 -0.386 -19.133 4.023 1.00 32.14 C ATOM 1149 O THR A 73 -1.029 -19.047 2.976 1.00 54.14 O ATOM 1150 CB THR A 73 0.650 -21.517 4.060 1.00 51.22 C ATOM 1151 OG1 THR A 73 0.890 -22.579 4.968 1.00 22.45 O ATOM 1152 CG2 THR A 73 2.011 -20.962 3.631 1.00 71.20 C ATOM 0 HA THR A 73 0.203 -20.304 5.709 1.00 12.54 H new ATOM 0 HB THR A 73 0.128 -21.839 3.159 1.00 51.22 H new ATOM 0 HG1 THR A 73 1.470 -23.246 4.545 1.00 22.45 H new ATOM 0 HG21 THR A 73 2.595 -21.753 3.160 1.00 71.20 H new ATOM 0 HG22 THR A 73 1.865 -20.148 2.921 1.00 71.20 H new ATOM 0 HG23 THR A 73 2.544 -20.589 4.506 1.00 71.20 H new ATOM 1160 N TYR A 74 0.189 -18.082 4.605 1.00 53.31 N ATOM 1161 CA TYR A 74 0.206 -16.718 4.086 1.00 33.42 C ATOM 1162 C TYR A 74 1.637 -16.430 3.640 1.00 3.43 C ATOM 1163 O TYR A 74 2.574 -16.794 4.354 1.00 72.42 O ATOM 1164 CB TYR A 74 -0.278 -15.758 5.188 1.00 0.33 C ATOM 1165 CG TYR A 74 -0.357 -14.279 4.842 1.00 45.25 C ATOM 1166 CD1 TYR A 74 -0.760 -13.859 3.559 1.00 62.35 C ATOM 1167 CD2 TYR A 74 -0.130 -13.319 5.848 1.00 73.35 C ATOM 1168 CE1 TYR A 74 -0.933 -12.497 3.268 1.00 13.30 C ATOM 1169 CE2 TYR A 74 -0.300 -11.951 5.571 1.00 72.02 C ATOM 1170 CZ TYR A 74 -0.709 -11.536 4.280 1.00 24.22 C ATOM 1171 OH TYR A 74 -0.929 -10.223 4.012 1.00 51.24 O ATOM 0 H TYR A 74 0.680 -18.164 5.495 1.00 53.31 H new ATOM 0 HA TYR A 74 -0.462 -16.584 3.235 1.00 33.42 H new ATOM 0 HB2 TYR A 74 -1.268 -16.083 5.507 1.00 0.33 H new ATOM 0 HB3 TYR A 74 0.385 -15.868 6.046 1.00 0.33 H new ATOM 0 HD1 TYR A 74 -0.938 -14.595 2.789 1.00 62.35 H new ATOM 0 HD2 TYR A 74 0.175 -13.635 6.835 1.00 73.35 H new ATOM 0 HE1 TYR A 74 -1.235 -12.186 2.279 1.00 13.30 H new ATOM 0 HE2 TYR A 74 -0.119 -11.217 6.342 1.00 72.02 H new ATOM 0 HH TYR A 74 -0.731 -9.689 4.809 1.00 51.24 H new ATOM 1181 N ILE A 75 1.831 -15.854 2.452 1.00 61.22 N ATOM 1182 CA ILE A 75 3.126 -15.663 1.820 1.00 20.33 C ATOM 1183 C ILE A 75 3.241 -14.201 1.394 1.00 4.30 C ATOM 1184 O ILE A 75 2.359 -13.687 0.705 1.00 52.53 O ATOM 1185 CB ILE A 75 3.291 -16.622 0.618 1.00 20.43 C ATOM 1186 CG1 ILE A 75 2.864 -18.076 0.918 1.00 54.20 C ATOM 1187 CG2 ILE A 75 4.767 -16.649 0.189 1.00 31.15 C ATOM 1188 CD1 ILE A 75 1.401 -18.378 0.593 1.00 11.52 C ATOM 0 H ILE A 75 1.059 -15.497 1.888 1.00 61.22 H new ATOM 0 HA ILE A 75 3.927 -15.896 2.522 1.00 20.33 H new ATOM 0 HB ILE A 75 2.638 -16.239 -0.166 1.00 20.43 H new ATOM 0 HG12 ILE A 75 3.499 -18.754 0.348 1.00 54.20 H new ATOM 0 HG13 ILE A 75 3.041 -18.285 1.973 1.00 54.20 H new ATOM 0 HG21 ILE A 75 4.887 -17.324 -0.658 1.00 31.15 H new ATOM 0 HG22 ILE A 75 5.081 -15.646 -0.099 1.00 31.15 H new ATOM 0 HG23 ILE A 75 5.381 -16.996 1.020 1.00 31.15 H new ATOM 0 HD11 ILE A 75 1.182 -19.419 0.832 1.00 11.52 H new ATOM 0 HD12 ILE A 75 0.755 -17.727 1.182 1.00 11.52 H new ATOM 0 HD13 ILE A 75 1.221 -18.204 -0.468 1.00 11.52 H new ATOM 1200 N SER A 76 4.338 -13.547 1.778 1.00 25.22 N ATOM 1201 CA SER A 76 4.726 -12.209 1.346 1.00 30.12 C ATOM 1202 C SER A 76 6.076 -12.359 0.654 1.00 65.03 C ATOM 1203 O SER A 76 6.983 -12.968 1.237 1.00 24.41 O ATOM 1204 CB SER A 76 4.811 -11.297 2.578 1.00 33.31 C ATOM 1205 OG SER A 76 4.902 -9.924 2.252 1.00 21.11 O ATOM 0 H SER A 76 5.009 -13.957 2.428 1.00 25.22 H new ATOM 0 HA SER A 76 4.008 -11.760 0.660 1.00 30.12 H new ATOM 0 HB2 SER A 76 3.932 -11.458 3.202 1.00 33.31 H new ATOM 0 HB3 SER A 76 5.680 -11.581 3.172 1.00 33.31 H new ATOM 0 HG SER A 76 5.556 -9.491 2.839 1.00 21.11 H new ATOM 1211 N HIS A 77 6.220 -11.893 -0.586 1.00 61.05 N ATOM 1212 CA HIS A 77 7.523 -11.823 -1.236 1.00 12.54 C ATOM 1213 C HIS A 77 7.528 -10.797 -2.359 1.00 61.21 C ATOM 1214 O HIS A 77 6.491 -10.304 -2.808 1.00 32.42 O ATOM 1215 CB HIS A 77 8.000 -13.198 -1.756 1.00 64.24 C ATOM 1216 CG HIS A 77 7.300 -13.784 -2.964 1.00 44.23 C ATOM 1217 ND1 HIS A 77 7.821 -14.774 -3.772 1.00 50.21 N ATOM 1218 CD2 HIS A 77 6.051 -13.481 -3.439 1.00 51.41 C ATOM 1219 CE1 HIS A 77 6.901 -15.070 -4.704 1.00 53.54 C ATOM 1220 NE2 HIS A 77 5.807 -14.306 -4.545 1.00 22.13 N ATOM 0 H HIS A 77 5.446 -11.558 -1.160 1.00 61.05 H new ATOM 0 HA HIS A 77 8.231 -11.503 -0.471 1.00 12.54 H new ATOM 0 HB2 HIS A 77 9.061 -13.116 -1.992 1.00 64.24 H new ATOM 0 HB3 HIS A 77 7.910 -13.913 -0.939 1.00 64.24 H new ATOM 0 HD2 HIS A 77 5.377 -12.741 -3.034 1.00 51.41 H new ATOM 0 HE1 HIS A 77 7.023 -15.818 -5.474 1.00 53.54 H new ATOM 0 HE2 HIS A 77 4.963 -14.323 -5.118 1.00 22.13 H new ATOM 1228 N PHE A 78 8.727 -10.532 -2.862 1.00 51.32 N ATOM 1229 CA PHE A 78 8.925 -9.800 -4.094 1.00 1.40 C ATOM 1230 C PHE A 78 8.760 -10.746 -5.282 1.00 43.35 C ATOM 1231 O PHE A 78 9.272 -11.872 -5.264 1.00 1.41 O ATOM 1232 CB PHE A 78 10.335 -9.212 -4.062 1.00 63.21 C ATOM 1233 CG PHE A 78 10.465 -8.113 -3.026 1.00 72.44 C ATOM 1234 CD1 PHE A 78 9.991 -6.822 -3.309 1.00 31.13 C ATOM 1235 CD2 PHE A 78 10.920 -8.411 -1.732 1.00 44.32 C ATOM 1236 CE1 PHE A 78 9.919 -5.853 -2.300 1.00 54.23 C ATOM 1237 CE2 PHE A 78 10.850 -7.442 -0.721 1.00 34.04 C ATOM 1238 CZ PHE A 78 10.324 -6.171 -0.994 1.00 45.52 C ATOM 0 H PHE A 78 9.596 -10.825 -2.416 1.00 51.32 H new ATOM 0 HA PHE A 78 8.192 -9.000 -4.197 1.00 1.40 H new ATOM 0 HB2 PHE A 78 11.053 -10.003 -3.845 1.00 63.21 H new ATOM 0 HB3 PHE A 78 10.585 -8.815 -5.046 1.00 63.21 H new ATOM 0 HD1 PHE A 78 9.679 -6.574 -4.313 1.00 31.13 H new ATOM 0 HD2 PHE A 78 11.325 -9.388 -1.515 1.00 44.32 H new ATOM 0 HE1 PHE A 78 9.552 -4.863 -2.526 1.00 54.23 H new ATOM 0 HE2 PHE A 78 11.203 -7.676 0.273 1.00 34.04 H new ATOM 0 HZ PHE A 78 10.231 -5.441 -0.204 1.00 45.52 H new ATOM 1248 N THR A 79 8.128 -10.252 -6.345 1.00 32.30 N ATOM 1249 CA THR A 79 7.854 -10.955 -7.595 1.00 33.00 C ATOM 1250 C THR A 79 8.644 -10.378 -8.775 1.00 32.42 C ATOM 1251 O THR A 79 8.370 -10.685 -9.936 1.00 42.13 O ATOM 1252 CB THR A 79 6.336 -10.969 -7.837 1.00 14.54 C ATOM 1253 OG1 THR A 79 5.754 -9.737 -7.450 1.00 25.34 O ATOM 1254 CG2 THR A 79 5.699 -12.102 -7.026 1.00 30.10 C ATOM 0 H THR A 79 7.774 -9.296 -6.357 1.00 32.30 H new ATOM 0 HA THR A 79 8.199 -11.985 -7.509 1.00 33.00 H new ATOM 0 HB THR A 79 6.158 -11.123 -8.901 1.00 14.54 H new ATOM 0 HG1 THR A 79 4.807 -9.729 -7.701 1.00 25.34 H new ATOM 0 HG21 THR A 79 4.623 -12.112 -7.198 1.00 30.10 H new ATOM 0 HG22 THR A 79 6.125 -13.056 -7.337 1.00 30.10 H new ATOM 0 HG23 THR A 79 5.896 -11.945 -5.965 1.00 30.10 H new ATOM 1262 N VAL A 80 9.676 -9.592 -8.507 1.00 53.44 N ATOM 1263 CA VAL A 80 10.634 -9.057 -9.479 1.00 32.14 C ATOM 1264 C VAL A 80 11.945 -8.832 -8.718 1.00 72.24 C ATOM 1265 O VAL A 80 11.946 -8.857 -7.482 1.00 30.42 O ATOM 1266 CB VAL A 80 10.003 -7.815 -10.171 1.00 71.55 C ATOM 1267 CG1 VAL A 80 9.316 -6.895 -9.165 1.00 73.05 C ATOM 1268 CG2 VAL A 80 10.984 -6.970 -10.993 1.00 43.21 C ATOM 0 H VAL A 80 9.884 -9.290 -7.555 1.00 53.44 H new ATOM 0 HA VAL A 80 10.869 -9.728 -10.305 1.00 32.14 H new ATOM 0 HB VAL A 80 9.279 -8.247 -10.862 1.00 71.55 H new ATOM 0 HG11 VAL A 80 8.888 -6.039 -9.688 1.00 73.05 H new ATOM 0 HG12 VAL A 80 8.523 -7.442 -8.654 1.00 73.05 H new ATOM 0 HG13 VAL A 80 10.045 -6.546 -8.434 1.00 73.05 H new ATOM 0 HG21 VAL A 80 10.455 -6.127 -11.437 1.00 43.21 H new ATOM 0 HG22 VAL A 80 11.777 -6.599 -10.344 1.00 43.21 H new ATOM 0 HG23 VAL A 80 11.419 -7.583 -11.783 1.00 43.21 H new ATOM 1278 N ASN A 81 13.065 -8.587 -9.395 1.00 31.53 N ATOM 1279 CA ASN A 81 14.327 -8.191 -8.777 1.00 10.00 C ATOM 1280 C ASN A 81 15.158 -7.446 -9.822 1.00 1.04 C ATOM 1281 O ASN A 81 16.263 -7.832 -10.210 1.00 3.40 O ATOM 1282 CB ASN A 81 15.057 -9.415 -8.204 1.00 50.25 C ATOM 1283 CG ASN A 81 16.377 -9.030 -7.552 1.00 14.03 C ATOM 1284 OD1 ASN A 81 17.370 -9.733 -7.725 1.00 72.25 O ATOM 1285 ND2 ASN A 81 16.433 -7.959 -6.775 1.00 30.23 N ATOM 0 H ASN A 81 13.121 -8.660 -10.411 1.00 31.53 H new ATOM 0 HA ASN A 81 14.150 -7.523 -7.934 1.00 10.00 H new ATOM 0 HB2 ASN A 81 14.419 -9.908 -7.471 1.00 50.25 H new ATOM 0 HB3 ASN A 81 15.241 -10.135 -9.001 1.00 50.25 H new ATOM 0 HD21 ASN A 81 17.307 -7.710 -6.312 1.00 30.23 H new ATOM 0 HD22 ASN A 81 15.602 -7.383 -6.639 1.00 30.23 H new ATOM 1292 N GLU A 82 14.564 -6.366 -10.307 1.00 63.22 N ATOM 1293 CA GLU A 82 15.201 -5.409 -11.189 1.00 3.20 C ATOM 1294 C GLU A 82 15.821 -4.326 -10.295 1.00 53.21 C ATOM 1295 O GLU A 82 15.321 -4.103 -9.185 1.00 24.53 O ATOM 1296 CB GLU A 82 14.130 -4.831 -12.123 1.00 10.43 C ATOM 1297 CG GLU A 82 13.620 -5.834 -13.164 1.00 21.51 C ATOM 1298 CD GLU A 82 14.568 -5.972 -14.353 1.00 12.34 C ATOM 1299 OE1 GLU A 82 14.569 -5.055 -15.209 1.00 61.45 O ATOM 1300 OE2 GLU A 82 15.251 -7.008 -14.483 1.00 72.54 O ATOM 0 H GLU A 82 13.597 -6.127 -10.089 1.00 63.22 H new ATOM 0 HA GLU A 82 15.980 -5.857 -11.807 1.00 3.20 H new ATOM 0 HB2 GLU A 82 13.289 -4.481 -11.525 1.00 10.43 H new ATOM 0 HB3 GLU A 82 14.539 -3.962 -12.638 1.00 10.43 H new ATOM 0 HG2 GLU A 82 13.489 -6.808 -12.692 1.00 21.51 H new ATOM 0 HG3 GLU A 82 12.639 -5.518 -13.520 1.00 21.51 H new ATOM 1307 N PRO A 83 16.876 -3.635 -10.748 1.00 4.00 N ATOM 1308 CA PRO A 83 17.621 -2.700 -9.914 1.00 3.22 C ATOM 1309 C PRO A 83 16.813 -1.455 -9.531 1.00 73.52 C ATOM 1310 O PRO A 83 17.123 -0.829 -8.519 1.00 34.10 O ATOM 1311 CB PRO A 83 18.857 -2.333 -10.738 1.00 42.15 C ATOM 1312 CG PRO A 83 18.400 -2.536 -12.184 1.00 21.21 C ATOM 1313 CD PRO A 83 17.476 -3.745 -12.068 1.00 65.32 C ATOM 0 HA PRO A 83 17.877 -3.156 -8.958 1.00 3.22 H new ATOM 0 HB2 PRO A 83 19.168 -1.304 -10.557 1.00 42.15 H new ATOM 0 HB3 PRO A 83 19.706 -2.971 -10.493 1.00 42.15 H new ATOM 0 HG2 PRO A 83 17.878 -1.661 -12.572 1.00 21.21 H new ATOM 0 HG3 PRO A 83 19.239 -2.729 -12.852 1.00 21.21 H new ATOM 0 HD2 PRO A 83 16.716 -3.737 -12.849 1.00 65.32 H new ATOM 0 HD3 PRO A 83 18.031 -4.677 -12.173 1.00 65.32 H new ATOM 1321 N ALA A 84 15.800 -1.088 -10.325 1.00 22.54 N ATOM 1322 CA ALA A 84 15.054 0.151 -10.158 1.00 33.34 C ATOM 1323 C ALA A 84 13.539 -0.040 -10.282 1.00 61.32 C ATOM 1324 O ALA A 84 12.808 0.950 -10.324 1.00 24.22 O ATOM 1325 CB ALA A 84 15.592 1.171 -11.167 1.00 74.24 C ATOM 0 H ALA A 84 15.477 -1.655 -11.109 1.00 22.54 H new ATOM 0 HA ALA A 84 15.203 0.519 -9.143 1.00 33.34 H new ATOM 0 HB1 ALA A 84 15.048 2.109 -11.061 1.00 74.24 H new ATOM 0 HB2 ALA A 84 16.652 1.343 -10.980 1.00 74.24 H new ATOM 0 HB3 ALA A 84 15.460 0.787 -12.178 1.00 74.24 H new ATOM 1331 N HIS A 85 13.045 -1.282 -10.327 1.00 30.12 N ATOM 1332 CA HIS A 85 11.621 -1.587 -10.345 1.00 33.41 C ATOM 1333 C HIS A 85 11.380 -2.769 -9.416 1.00 34.32 C ATOM 1334 O HIS A 85 12.082 -3.777 -9.505 1.00 73.25 O ATOM 1335 CB HIS A 85 11.154 -1.905 -11.773 1.00 24.23 C ATOM 1336 CG HIS A 85 9.652 -1.966 -11.880 1.00 2.00 C ATOM 1337 ND1 HIS A 85 8.851 -3.084 -11.772 1.00 41.05 N ATOM 1338 CD2 HIS A 85 8.836 -0.894 -12.103 1.00 5.12 C ATOM 1339 CE1 HIS A 85 7.574 -2.689 -11.930 1.00 11.32 C ATOM 1340 NE2 HIS A 85 7.518 -1.361 -12.158 1.00 74.45 N ATOM 0 H HIS A 85 13.637 -2.112 -10.352 1.00 30.12 H new ATOM 0 HA HIS A 85 11.047 -0.726 -10.003 1.00 33.41 H new ATOM 0 HB2 HIS A 85 11.535 -1.145 -12.456 1.00 24.23 H new ATOM 0 HB3 HIS A 85 11.578 -2.858 -12.088 1.00 24.23 H new ATOM 0 HD2 HIS A 85 9.152 0.132 -12.217 1.00 5.12 H new ATOM 0 HE1 HIS A 85 6.716 -3.343 -11.881 1.00 11.32 H new ATOM 0 HE2 HIS A 85 6.680 -0.807 -12.335 1.00 74.45 H new ATOM 1348 N LYS A 86 10.400 -2.671 -8.518 1.00 51.01 N ATOM 1349 CA LYS A 86 10.026 -3.774 -7.645 1.00 5.42 C ATOM 1350 C LYS A 86 8.506 -3.806 -7.482 1.00 11.14 C ATOM 1351 O LYS A 86 7.840 -2.790 -7.643 1.00 14.14 O ATOM 1352 CB LYS A 86 10.759 -3.644 -6.293 1.00 65.42 C ATOM 1353 CG LYS A 86 12.273 -3.967 -6.345 1.00 53.34 C ATOM 1354 CD LYS A 86 12.812 -4.342 -4.950 1.00 30.14 C ATOM 1355 CE LYS A 86 13.442 -3.175 -4.177 1.00 41.05 C ATOM 1356 NZ LYS A 86 13.234 -3.380 -2.731 1.00 5.42 N ATOM 0 H LYS A 86 9.847 -1.826 -8.378 1.00 51.01 H new ATOM 0 HA LYS A 86 10.329 -4.723 -8.087 1.00 5.42 H new ATOM 0 HB2 LYS A 86 10.631 -2.627 -5.922 1.00 65.42 H new ATOM 0 HB3 LYS A 86 10.284 -4.309 -5.572 1.00 65.42 H new ATOM 0 HG2 LYS A 86 12.448 -4.789 -7.039 1.00 53.34 H new ATOM 0 HG3 LYS A 86 12.818 -3.105 -6.729 1.00 53.34 H new ATOM 0 HD2 LYS A 86 11.995 -4.755 -4.358 1.00 30.14 H new ATOM 0 HD3 LYS A 86 13.556 -5.131 -5.062 1.00 30.14 H new ATOM 0 HE2 LYS A 86 14.508 -3.111 -4.397 1.00 41.05 H new ATOM 0 HE3 LYS A 86 12.994 -2.232 -4.491 1.00 41.05 H new ATOM 0 HZ1 LYS A 86 14.028 -2.964 -2.204 1.00 5.42 H new ATOM 0 HZ2 LYS A 86 12.347 -2.922 -2.440 1.00 5.42 H new ATOM 0 HZ3 LYS A 86 13.180 -4.399 -2.529 1.00 5.42 H new ATOM 1370 N GLU A 87 7.969 -4.960 -7.104 1.00 30.02 N ATOM 1371 CA GLU A 87 6.563 -5.208 -6.802 1.00 73.11 C ATOM 1372 C GLU A 87 6.562 -5.975 -5.490 1.00 13.31 C ATOM 1373 O GLU A 87 7.456 -6.796 -5.262 1.00 71.21 O ATOM 1374 CB GLU A 87 5.919 -6.091 -7.885 1.00 72.01 C ATOM 1375 CG GLU A 87 5.778 -5.397 -9.248 1.00 50.33 C ATOM 1376 CD GLU A 87 4.346 -4.972 -9.588 1.00 1.43 C ATOM 1377 OE1 GLU A 87 3.573 -4.658 -8.655 1.00 43.24 O ATOM 1378 OE2 GLU A 87 4.012 -4.928 -10.793 1.00 11.11 O ATOM 0 H GLU A 87 8.538 -5.799 -6.993 1.00 30.02 H new ATOM 0 HA GLU A 87 6.003 -4.274 -6.753 1.00 73.11 H new ATOM 0 HB2 GLU A 87 6.517 -6.994 -8.008 1.00 72.01 H new ATOM 0 HB3 GLU A 87 4.933 -6.406 -7.544 1.00 72.01 H new ATOM 0 HG2 GLU A 87 6.420 -4.516 -9.264 1.00 50.33 H new ATOM 0 HG3 GLU A 87 6.140 -6.070 -10.025 1.00 50.33 H new ATOM 1385 N PHE A 88 5.566 -5.725 -4.652 1.00 34.30 N ATOM 1386 CA PHE A 88 5.402 -6.306 -3.340 1.00 34.04 C ATOM 1387 C PHE A 88 4.056 -7.010 -3.315 1.00 21.14 C ATOM 1388 O PHE A 88 3.027 -6.349 -3.454 1.00 24.03 O ATOM 1389 CB PHE A 88 5.488 -5.214 -2.284 1.00 41.55 C ATOM 1390 CG PHE A 88 5.392 -5.749 -0.878 1.00 4.40 C ATOM 1391 CD1 PHE A 88 6.560 -6.189 -0.235 1.00 10.31 C ATOM 1392 CD2 PHE A 88 4.141 -5.890 -0.244 1.00 65.14 C ATOM 1393 CE1 PHE A 88 6.480 -6.737 1.049 1.00 44.24 C ATOM 1394 CE2 PHE A 88 4.067 -6.452 1.043 1.00 24.04 C ATOM 1395 CZ PHE A 88 5.242 -6.865 1.691 1.00 33.20 C ATOM 0 H PHE A 88 4.815 -5.077 -4.888 1.00 34.30 H new ATOM 0 HA PHE A 88 6.189 -7.028 -3.122 1.00 34.04 H new ATOM 0 HB2 PHE A 88 6.430 -4.677 -2.400 1.00 41.55 H new ATOM 0 HB3 PHE A 88 4.687 -4.493 -2.448 1.00 41.55 H new ATOM 0 HD1 PHE A 88 7.516 -6.105 -0.730 1.00 10.31 H new ATOM 0 HD2 PHE A 88 3.241 -5.567 -0.746 1.00 65.14 H new ATOM 0 HE1 PHE A 88 7.380 -7.064 1.549 1.00 44.24 H new ATOM 0 HE2 PHE A 88 3.110 -6.565 1.531 1.00 24.04 H new ATOM 0 HZ PHE A 88 5.191 -7.282 2.686 1.00 33.20 H new ATOM 1405 N GLU A 89 4.049 -8.329 -3.157 1.00 22.21 N ATOM 1406 CA GLU A 89 2.828 -9.115 -3.124 1.00 1.20 C ATOM 1407 C GLU A 89 2.735 -9.827 -1.781 1.00 53.43 C ATOM 1408 O GLU A 89 3.731 -10.358 -1.283 1.00 43.42 O ATOM 1409 CB GLU A 89 2.842 -10.148 -4.262 1.00 31.04 C ATOM 1410 CG GLU A 89 2.404 -9.572 -5.616 1.00 25.21 C ATOM 1411 CD GLU A 89 2.633 -10.588 -6.740 1.00 22.42 C ATOM 1412 OE1 GLU A 89 2.326 -11.794 -6.543 1.00 51.42 O ATOM 1413 OE2 GLU A 89 3.192 -10.186 -7.783 1.00 52.55 O ATOM 0 H GLU A 89 4.898 -8.884 -3.048 1.00 22.21 H new ATOM 0 HA GLU A 89 1.966 -8.461 -3.254 1.00 1.20 H new ATOM 0 HB2 GLU A 89 3.848 -10.557 -4.358 1.00 31.04 H new ATOM 0 HB3 GLU A 89 2.184 -10.976 -3.998 1.00 31.04 H new ATOM 0 HG2 GLU A 89 1.350 -9.299 -5.576 1.00 25.21 H new ATOM 0 HG3 GLU A 89 2.962 -8.659 -5.826 1.00 25.21 H new ATOM 1420 N ALA A 90 1.521 -9.907 -1.235 1.00 25.23 N ATOM 1421 CA ALA A 90 1.212 -10.670 -0.042 1.00 62.32 C ATOM 1422 C ALA A 90 -0.151 -11.325 -0.243 1.00 73.32 C ATOM 1423 O ALA A 90 -1.126 -10.641 -0.567 1.00 13.54 O ATOM 1424 CB ALA A 90 1.234 -9.758 1.189 1.00 32.42 C ATOM 0 H ALA A 90 0.710 -9.428 -1.626 1.00 25.23 H new ATOM 0 HA ALA A 90 1.958 -11.446 0.128 1.00 62.32 H new ATOM 0 HB1 ALA A 90 1.000 -10.342 2.079 1.00 32.42 H new ATOM 0 HB2 ALA A 90 2.224 -9.314 1.296 1.00 32.42 H new ATOM 0 HB3 ALA A 90 0.493 -8.967 1.069 1.00 32.42 H new ATOM 1430 N GLY A 91 -0.241 -12.642 -0.059 1.00 11.13 N ATOM 1431 CA GLY A 91 -1.485 -13.376 -0.215 1.00 41.54 C ATOM 1432 C GLY A 91 -1.365 -14.826 0.242 1.00 23.03 C ATOM 1433 O GLY A 91 -0.271 -15.325 0.522 1.00 71.45 O ATOM 0 H GLY A 91 0.553 -13.227 0.203 1.00 11.13 H new ATOM 0 HA2 GLY A 91 -2.270 -12.881 0.357 1.00 41.54 H new ATOM 0 HA3 GLY A 91 -1.790 -13.352 -1.261 1.00 41.54 H new ATOM 1437 N TYR A 92 -2.511 -15.491 0.390 1.00 74.32 N ATOM 1438 CA TYR A 92 -2.576 -16.852 0.908 1.00 1.10 C ATOM 1439 C TYR A 92 -2.326 -17.877 -0.198 1.00 12.11 C ATOM 1440 O TYR A 92 -2.493 -17.606 -1.393 1.00 15.21 O ATOM 1441 CB TYR A 92 -3.921 -17.096 1.612 1.00 72.34 C ATOM 1442 CG TYR A 92 -4.038 -16.512 3.011 1.00 32.30 C ATOM 1443 CD1 TYR A 92 -3.809 -15.138 3.229 1.00 54.11 C ATOM 1444 CD2 TYR A 92 -4.417 -17.335 4.095 1.00 44.25 C ATOM 1445 CE1 TYR A 92 -3.894 -14.595 4.517 1.00 41.34 C ATOM 1446 CE2 TYR A 92 -4.556 -16.777 5.379 1.00 64.12 C ATOM 1447 CZ TYR A 92 -4.268 -15.412 5.601 1.00 12.50 C ATOM 1448 OH TYR A 92 -4.331 -14.874 6.847 1.00 33.42 O ATOM 0 H TYR A 92 -3.421 -15.097 0.152 1.00 74.32 H new ATOM 0 HA TYR A 92 -1.784 -16.976 1.646 1.00 1.10 H new ATOM 0 HB2 TYR A 92 -4.716 -16.679 0.994 1.00 72.34 H new ATOM 0 HB3 TYR A 92 -4.092 -18.171 1.669 1.00 72.34 H new ATOM 0 HD1 TYR A 92 -3.566 -14.498 2.394 1.00 54.11 H new ATOM 0 HD2 TYR A 92 -4.599 -18.388 3.939 1.00 44.25 H new ATOM 0 HE1 TYR A 92 -3.673 -13.550 4.679 1.00 41.34 H new ATOM 0 HE2 TYR A 92 -4.885 -17.396 6.200 1.00 64.12 H new ATOM 0 HH TYR A 92 -4.604 -15.563 7.488 1.00 33.42 H new ATOM 1458 N ASP A 93 -1.930 -19.070 0.235 1.00 63.33 N ATOM 1459 CA ASP A 93 -1.774 -20.274 -0.573 1.00 71.42 C ATOM 1460 C ASP A 93 -3.132 -20.622 -1.197 1.00 63.43 C ATOM 1461 O ASP A 93 -4.156 -20.552 -0.518 1.00 43.32 O ATOM 1462 CB ASP A 93 -1.269 -21.398 0.352 1.00 22.33 C ATOM 1463 CG ASP A 93 -0.546 -22.542 -0.357 1.00 41.52 C ATOM 1464 OD1 ASP A 93 -0.422 -22.544 -1.602 1.00 14.15 O ATOM 1465 OD2 ASP A 93 0.032 -23.383 0.369 1.00 31.25 O ATOM 0 H ASP A 93 -1.696 -19.231 1.215 1.00 63.33 H new ATOM 0 HA ASP A 93 -1.056 -20.133 -1.381 1.00 71.42 H new ATOM 0 HB2 ASP A 93 -0.595 -20.965 1.091 1.00 22.33 H new ATOM 0 HB3 ASP A 93 -2.119 -21.808 0.898 1.00 22.33 H new ATOM 1470 N GLU A 94 -3.162 -20.948 -2.486 1.00 60.10 N ATOM 1471 CA GLU A 94 -4.317 -21.109 -3.377 1.00 22.41 C ATOM 1472 C GLU A 94 -5.288 -19.914 -3.505 1.00 64.43 C ATOM 1473 O GLU A 94 -5.923 -19.819 -4.555 1.00 61.01 O ATOM 1474 CB GLU A 94 -5.033 -22.454 -3.135 1.00 1.44 C ATOM 1475 CG GLU A 94 -4.317 -23.610 -3.859 1.00 74.44 C ATOM 1476 CD GLU A 94 -5.056 -24.955 -3.855 1.00 71.22 C ATOM 1477 OE1 GLU A 94 -6.292 -24.991 -4.083 1.00 20.04 O ATOM 1478 OE2 GLU A 94 -4.377 -26.003 -3.758 1.00 42.41 O ATOM 0 H GLU A 94 -2.292 -21.125 -2.987 1.00 60.10 H new ATOM 0 HA GLU A 94 -3.871 -21.126 -4.371 1.00 22.41 H new ATOM 0 HB2 GLU A 94 -5.071 -22.660 -2.065 1.00 1.44 H new ATOM 0 HB3 GLU A 94 -6.064 -22.387 -3.483 1.00 1.44 H new ATOM 0 HG2 GLU A 94 -4.143 -23.315 -4.894 1.00 74.44 H new ATOM 0 HG3 GLU A 94 -3.339 -23.752 -3.400 1.00 74.44 H new ATOM 1485 N SER A 95 -5.381 -18.969 -2.559 1.00 33.15 N ATOM 1486 CA SER A 95 -6.263 -17.799 -2.673 1.00 60.04 C ATOM 1487 C SER A 95 -5.609 -16.661 -3.477 1.00 12.23 C ATOM 1488 O SER A 95 -4.500 -16.823 -3.988 1.00 22.42 O ATOM 1489 CB SER A 95 -6.691 -17.287 -1.296 1.00 4.21 C ATOM 1490 OG SER A 95 -6.431 -18.168 -0.211 1.00 32.32 O ATOM 0 H SER A 95 -4.845 -18.995 -1.691 1.00 33.15 H new ATOM 0 HA SER A 95 -7.150 -18.129 -3.214 1.00 60.04 H new ATOM 0 HB2 SER A 95 -6.183 -16.342 -1.104 1.00 4.21 H new ATOM 0 HB3 SER A 95 -7.760 -17.075 -1.322 1.00 4.21 H new ATOM 0 HG SER A 95 -6.736 -17.757 0.625 1.00 32.32 H new ATOM 1496 N GLU A 96 -6.274 -15.504 -3.604 1.00 21.01 N ATOM 1497 CA GLU A 96 -5.750 -14.348 -4.334 1.00 44.35 C ATOM 1498 C GLU A 96 -4.863 -13.484 -3.410 1.00 42.41 C ATOM 1499 O GLU A 96 -4.840 -13.738 -2.194 1.00 52.54 O ATOM 1500 CB GLU A 96 -6.883 -13.568 -5.000 1.00 74.13 C ATOM 1501 CG GLU A 96 -7.852 -12.845 -4.079 1.00 13.20 C ATOM 1502 CD GLU A 96 -8.665 -11.766 -4.821 1.00 54.44 C ATOM 1503 OE1 GLU A 96 -8.931 -11.925 -6.034 1.00 33.42 O ATOM 1504 OE2 GLU A 96 -9.052 -10.736 -4.205 1.00 51.35 O ATOM 0 H GLU A 96 -7.197 -15.346 -3.199 1.00 21.01 H new ATOM 0 HA GLU A 96 -5.106 -14.691 -5.144 1.00 44.35 H new ATOM 0 HB2 GLU A 96 -6.440 -12.833 -5.672 1.00 74.13 H new ATOM 0 HB3 GLU A 96 -7.454 -14.260 -5.618 1.00 74.13 H new ATOM 0 HG2 GLU A 96 -8.534 -13.568 -3.632 1.00 13.20 H new ATOM 0 HG3 GLU A 96 -7.298 -12.382 -3.262 1.00 13.20 H new ATOM 1511 N PRO A 97 -4.059 -12.535 -3.932 1.00 10.52 N ATOM 1512 CA PRO A 97 -3.379 -11.562 -3.084 1.00 52.23 C ATOM 1513 C PRO A 97 -4.323 -10.588 -2.371 1.00 5.22 C ATOM 1514 O PRO A 97 -5.467 -10.399 -2.781 1.00 50.45 O ATOM 1515 CB PRO A 97 -2.398 -10.820 -3.977 1.00 64.41 C ATOM 1516 CG PRO A 97 -2.703 -11.199 -5.416 1.00 44.34 C ATOM 1517 CD PRO A 97 -3.656 -12.393 -5.330 1.00 21.32 C ATOM 0 HA PRO A 97 -2.876 -12.089 -2.273 1.00 52.23 H new ATOM 0 HB2 PRO A 97 -2.493 -9.743 -3.837 1.00 64.41 H new ATOM 0 HB3 PRO A 97 -1.372 -11.085 -3.721 1.00 64.41 H new ATOM 0 HG2 PRO A 97 -3.162 -10.368 -5.952 1.00 44.34 H new ATOM 0 HG3 PRO A 97 -1.792 -11.461 -5.954 1.00 44.34 H new ATOM 0 HD2 PRO A 97 -4.527 -12.235 -5.966 1.00 21.32 H new ATOM 0 HD3 PRO A 97 -3.166 -13.301 -5.682 1.00 21.32 H new ATOM 1525 N SER A 98 -3.812 -9.924 -1.328 1.00 14.24 N ATOM 1526 CA SER A 98 -4.582 -9.055 -0.436 1.00 11.52 C ATOM 1527 C SER A 98 -3.864 -7.729 -0.115 1.00 33.01 C ATOM 1528 O SER A 98 -4.445 -6.883 0.571 1.00 52.33 O ATOM 1529 CB SER A 98 -4.915 -9.822 0.855 1.00 22.24 C ATOM 1530 OG SER A 98 -5.446 -11.112 0.583 1.00 44.11 O ATOM 0 H SER A 98 -2.825 -9.979 -1.076 1.00 14.24 H new ATOM 0 HA SER A 98 -5.500 -8.780 -0.955 1.00 11.52 H new ATOM 0 HB2 SER A 98 -4.015 -9.921 1.461 1.00 22.24 H new ATOM 0 HB3 SER A 98 -5.634 -9.250 1.442 1.00 22.24 H new ATOM 0 HG SER A 98 -5.643 -11.569 1.427 1.00 44.11 H new ATOM 1536 N LEU A 99 -2.631 -7.500 -0.591 1.00 41.55 N ATOM 1537 CA LEU A 99 -1.931 -6.206 -0.506 1.00 52.21 C ATOM 1538 C LEU A 99 -0.902 -6.145 -1.627 1.00 73.45 C ATOM 1539 O LEU A 99 -0.073 -7.050 -1.711 1.00 62.41 O ATOM 1540 CB LEU A 99 -1.219 -6.064 0.850 1.00 24.01 C ATOM 1541 CG LEU A 99 -0.194 -4.909 0.938 1.00 71.24 C ATOM 1542 CD1 LEU A 99 -0.846 -3.525 0.811 1.00 65.35 C ATOM 1543 CD2 LEU A 99 0.553 -5.026 2.265 1.00 11.11 C ATOM 0 H LEU A 99 -2.080 -8.222 -1.055 1.00 41.55 H new ATOM 0 HA LEU A 99 -2.653 -5.395 -0.602 1.00 52.21 H new ATOM 0 HB2 LEU A 99 -1.972 -5.920 1.624 1.00 24.01 H new ATOM 0 HB3 LEU A 99 -0.707 -7.000 1.073 1.00 24.01 H new ATOM 0 HG LEU A 99 0.495 -4.999 0.098 1.00 71.24 H new ATOM 0 HD11 LEU A 99 -0.079 -2.754 0.880 1.00 65.35 H new ATOM 0 HD12 LEU A 99 -1.352 -3.448 -0.151 1.00 65.35 H new ATOM 0 HD13 LEU A 99 -1.570 -3.389 1.614 1.00 65.35 H new ATOM 0 HD21 LEU A 99 1.281 -4.219 2.345 1.00 11.11 H new ATOM 0 HD22 LEU A 99 -0.157 -4.957 3.089 1.00 11.11 H new ATOM 0 HD23 LEU A 99 1.069 -5.985 2.309 1.00 11.11 H new ATOM 1555 N ARG A 100 -0.922 -5.120 -2.484 1.00 24.14 N ATOM 1556 CA ARG A 100 -0.022 -5.029 -3.641 1.00 71.44 C ATOM 1557 C ARG A 100 0.607 -3.646 -3.695 1.00 3.24 C ATOM 1558 O ARG A 100 -0.126 -2.666 -3.531 1.00 25.10 O ATOM 1559 CB ARG A 100 -0.810 -5.334 -4.923 1.00 34.20 C ATOM 1560 CG ARG A 100 0.097 -5.701 -6.099 1.00 10.21 C ATOM 1561 CD ARG A 100 -0.705 -6.246 -7.281 1.00 5.44 C ATOM 1562 NE ARG A 100 -1.626 -5.247 -7.851 1.00 10.12 N ATOM 1563 CZ ARG A 100 -2.648 -5.536 -8.664 1.00 21.24 C ATOM 1564 NH1 ARG A 100 -2.791 -6.759 -9.161 1.00 10.51 N ATOM 1565 NH2 ARG A 100 -3.533 -4.599 -8.985 1.00 41.24 N ATOM 0 H ARG A 100 -1.561 -4.330 -2.397 1.00 24.14 H new ATOM 0 HA ARG A 100 0.781 -5.760 -3.548 1.00 71.44 H new ATOM 0 HB2 ARG A 100 -1.502 -6.155 -4.733 1.00 34.20 H new ATOM 0 HB3 ARG A 100 -1.412 -4.465 -5.190 1.00 34.20 H new ATOM 0 HG2 ARG A 100 0.658 -4.821 -6.414 1.00 10.21 H new ATOM 0 HG3 ARG A 100 0.825 -6.446 -5.779 1.00 10.21 H new ATOM 0 HD2 ARG A 100 -0.018 -6.585 -8.056 1.00 5.44 H new ATOM 0 HD3 ARG A 100 -1.275 -7.117 -6.958 1.00 5.44 H new ATOM 0 HE ARG A 100 -1.474 -4.268 -7.609 1.00 10.12 H new ATOM 0 HH11 ARG A 100 -2.118 -7.488 -8.924 1.00 10.51 H new ATOM 0 HH12 ARG A 100 -3.574 -6.970 -9.780 1.00 10.51 H new ATOM 0 HH21 ARG A 100 -3.435 -3.655 -8.611 1.00 41.24 H new ATOM 0 HH22 ARG A 100 -4.311 -4.823 -9.605 1.00 41.24 H new ATOM 1579 N VAL A 101 1.924 -3.545 -3.899 1.00 3.41 N ATOM 1580 CA VAL A 101 2.620 -2.252 -3.931 1.00 23.23 C ATOM 1581 C VAL A 101 3.767 -2.253 -4.955 1.00 30.33 C ATOM 1582 O VAL A 101 4.785 -2.921 -4.760 1.00 21.00 O ATOM 1583 CB VAL A 101 3.122 -1.869 -2.518 1.00 73.25 C ATOM 1584 CG1 VAL A 101 3.787 -0.484 -2.551 1.00 10.30 C ATOM 1585 CG2 VAL A 101 1.999 -1.808 -1.467 1.00 52.14 C ATOM 0 H VAL A 101 2.535 -4.349 -4.046 1.00 3.41 H new ATOM 0 HA VAL A 101 1.906 -1.494 -4.253 1.00 23.23 H new ATOM 0 HB VAL A 101 3.824 -2.653 -2.234 1.00 73.25 H new ATOM 0 HG11 VAL A 101 4.137 -0.224 -1.552 1.00 10.30 H new ATOM 0 HG12 VAL A 101 4.633 -0.503 -3.238 1.00 10.30 H new ATOM 0 HG13 VAL A 101 3.064 0.259 -2.887 1.00 10.30 H new ATOM 0 HG21 VAL A 101 2.420 -1.534 -0.500 1.00 52.14 H new ATOM 0 HG22 VAL A 101 1.261 -1.063 -1.765 1.00 52.14 H new ATOM 0 HG23 VAL A 101 1.519 -2.784 -1.391 1.00 52.14 H new ATOM 1595 N VAL A 102 3.641 -1.446 -6.012 1.00 31.20 N ATOM 1596 CA VAL A 102 4.732 -1.148 -6.942 1.00 62.12 C ATOM 1597 C VAL A 102 5.713 -0.171 -6.279 1.00 24.14 C ATOM 1598 O VAL A 102 5.302 0.765 -5.585 1.00 23.04 O ATOM 1599 CB VAL A 102 4.149 -0.534 -8.233 1.00 21.21 C ATOM 1600 CG1 VAL A 102 5.227 -0.090 -9.232 1.00 10.23 C ATOM 1601 CG2 VAL A 102 3.253 -1.527 -8.983 1.00 42.44 C ATOM 0 H VAL A 102 2.767 -0.976 -6.248 1.00 31.20 H new ATOM 0 HA VAL A 102 5.265 -2.064 -7.197 1.00 62.12 H new ATOM 0 HB VAL A 102 3.583 0.330 -7.886 1.00 21.21 H new ATOM 0 HG11 VAL A 102 4.751 0.332 -10.117 1.00 10.23 H new ATOM 0 HG12 VAL A 102 5.865 0.663 -8.769 1.00 10.23 H new ATOM 0 HG13 VAL A 102 5.832 -0.950 -9.521 1.00 10.23 H new ATOM 0 HG21 VAL A 102 2.863 -1.056 -9.885 1.00 42.44 H new ATOM 0 HG22 VAL A 102 3.835 -2.407 -9.256 1.00 42.44 H new ATOM 0 HG23 VAL A 102 2.423 -1.825 -8.342 1.00 42.44 H new ATOM 1611 N PHE A 103 7.007 -0.327 -6.566 1.00 10.32 N ATOM 1612 CA PHE A 103 8.082 0.584 -6.199 1.00 43.24 C ATOM 1613 C PHE A 103 8.942 0.843 -7.439 1.00 30.24 C ATOM 1614 O PHE A 103 9.207 -0.067 -8.224 1.00 71.13 O ATOM 1615 CB PHE A 103 8.958 -0.032 -5.100 1.00 22.04 C ATOM 1616 CG PHE A 103 8.279 -0.315 -3.776 1.00 42.35 C ATOM 1617 CD1 PHE A 103 7.461 -1.449 -3.634 1.00 11.50 C ATOM 1618 CD2 PHE A 103 8.481 0.540 -2.677 1.00 23.24 C ATOM 1619 CE1 PHE A 103 6.802 -1.687 -2.419 1.00 45.21 C ATOM 1620 CE2 PHE A 103 7.842 0.278 -1.453 1.00 14.24 C ATOM 1621 CZ PHE A 103 6.979 -0.820 -1.330 1.00 1.10 C ATOM 0 H PHE A 103 7.346 -1.135 -7.088 1.00 10.32 H new ATOM 0 HA PHE A 103 7.655 1.514 -5.824 1.00 43.24 H new ATOM 0 HB2 PHE A 103 9.373 -0.967 -5.478 1.00 22.04 H new ATOM 0 HB3 PHE A 103 9.798 0.638 -4.917 1.00 22.04 H new ATOM 0 HD1 PHE A 103 7.340 -2.136 -4.459 1.00 11.50 H new ATOM 0 HD2 PHE A 103 9.128 1.399 -2.774 1.00 23.24 H new ATOM 0 HE1 PHE A 103 6.153 -2.545 -2.321 1.00 45.21 H new ATOM 0 HE2 PHE A 103 8.016 0.924 -0.605 1.00 14.24 H new ATOM 0 HZ PHE A 103 6.454 -0.997 -0.403 1.00 1.10 H new ATOM 1631 N GLU A 104 9.448 2.062 -7.584 1.00 3.20 N ATOM 1632 CA GLU A 104 10.309 2.497 -8.679 1.00 65.32 C ATOM 1633 C GLU A 104 11.439 3.346 -8.102 1.00 33.22 C ATOM 1634 O GLU A 104 11.249 3.980 -7.064 1.00 70.52 O ATOM 1635 CB GLU A 104 9.491 3.357 -9.648 1.00 51.52 C ATOM 1636 CG GLU A 104 8.575 2.555 -10.572 1.00 42.25 C ATOM 1637 CD GLU A 104 7.513 3.441 -11.220 1.00 42.51 C ATOM 1638 OE1 GLU A 104 7.805 4.599 -11.609 1.00 4.52 O ATOM 1639 OE2 GLU A 104 6.347 2.982 -11.333 1.00 53.51 O ATOM 0 H GLU A 104 9.262 2.807 -6.913 1.00 3.20 H new ATOM 0 HA GLU A 104 10.714 1.631 -9.203 1.00 65.32 H new ATOM 0 HB2 GLU A 104 8.886 4.058 -9.073 1.00 51.52 H new ATOM 0 HB3 GLU A 104 10.174 3.950 -10.256 1.00 51.52 H new ATOM 0 HG2 GLU A 104 9.171 2.074 -11.348 1.00 42.25 H new ATOM 0 HG3 GLU A 104 8.090 1.761 -10.004 1.00 42.25 H new ATOM 1646 N LEU A 105 12.578 3.412 -8.789 1.00 63.14 N ATOM 1647 CA LEU A 105 13.746 4.220 -8.443 1.00 30.10 C ATOM 1648 C LEU A 105 14.071 5.122 -9.630 1.00 23.14 C ATOM 1649 O LEU A 105 14.200 4.648 -10.757 1.00 14.41 O ATOM 1650 CB LEU A 105 14.929 3.296 -8.122 1.00 52.13 C ATOM 1651 CG LEU A 105 16.280 4.000 -7.865 1.00 65.15 C ATOM 1652 CD1 LEU A 105 16.574 4.234 -6.383 1.00 31.20 C ATOM 1653 CD2 LEU A 105 17.404 3.132 -8.429 1.00 74.14 C ATOM 0 H LEU A 105 12.718 2.876 -9.645 1.00 63.14 H new ATOM 0 HA LEU A 105 13.545 4.834 -7.565 1.00 30.10 H new ATOM 0 HB2 LEU A 105 14.676 2.705 -7.242 1.00 52.13 H new ATOM 0 HB3 LEU A 105 15.056 2.598 -8.950 1.00 52.13 H new ATOM 0 HG LEU A 105 16.220 4.974 -8.350 1.00 65.15 H new ATOM 0 HD11 LEU A 105 17.538 4.732 -6.277 1.00 31.20 H new ATOM 0 HD12 LEU A 105 15.793 4.860 -5.952 1.00 31.20 H new ATOM 0 HD13 LEU A 105 16.601 3.277 -5.862 1.00 31.20 H new ATOM 0 HD21 LEU A 105 18.363 3.619 -8.253 1.00 74.14 H new ATOM 0 HD22 LEU A 105 17.395 2.160 -7.936 1.00 74.14 H new ATOM 0 HD23 LEU A 105 17.257 2.997 -9.501 1.00 74.14 H new ATOM 1665 N THR A 106 14.225 6.424 -9.404 1.00 30.20 N ATOM 1666 CA THR A 106 14.640 7.395 -10.415 1.00 5.22 C ATOM 1667 C THR A 106 15.238 8.592 -9.677 1.00 5.02 C ATOM 1668 O THR A 106 14.773 8.931 -8.587 1.00 62.54 O ATOM 1669 CB THR A 106 13.392 7.792 -11.216 1.00 13.20 C ATOM 1670 OG1 THR A 106 12.985 6.720 -12.051 1.00 62.13 O ATOM 1671 CG2 THR A 106 13.543 9.019 -12.109 1.00 65.11 C ATOM 0 H THR A 106 14.061 6.845 -8.489 1.00 30.20 H new ATOM 0 HA THR A 106 15.385 6.996 -11.104 1.00 5.22 H new ATOM 0 HB THR A 106 12.658 8.039 -10.449 1.00 13.20 H new ATOM 0 HG1 THR A 106 13.467 5.906 -11.796 1.00 62.13 H new ATOM 0 HG21 THR A 106 12.603 9.209 -12.628 1.00 65.11 H new ATOM 0 HG22 THR A 106 13.802 9.884 -11.498 1.00 65.11 H new ATOM 0 HG23 THR A 106 14.332 8.842 -12.840 1.00 65.11 H new ATOM 1679 N ASP A 107 16.237 9.248 -10.269 1.00 53.03 N ATOM 1680 CA ASP A 107 17.084 10.250 -9.614 1.00 14.43 C ATOM 1681 C ASP A 107 17.721 9.696 -8.337 1.00 13.34 C ATOM 1682 O ASP A 107 17.869 10.387 -7.326 1.00 4.23 O ATOM 1683 CB ASP A 107 16.338 11.570 -9.388 1.00 2.23 C ATOM 1684 CG ASP A 107 17.319 12.740 -9.453 1.00 3.43 C ATOM 1685 OD1 ASP A 107 17.556 13.247 -10.581 1.00 63.12 O ATOM 1686 OD2 ASP A 107 17.837 13.169 -8.405 1.00 23.24 O ATOM 0 H ASP A 107 16.488 9.094 -11.246 1.00 53.03 H new ATOM 0 HA ASP A 107 17.905 10.483 -10.292 1.00 14.43 H new ATOM 0 HB2 ASP A 107 15.562 11.693 -10.143 1.00 2.23 H new ATOM 0 HB3 ASP A 107 15.840 11.555 -8.418 1.00 2.23 H new ATOM 1691 N GLY A 108 18.035 8.400 -8.349 1.00 73.12 N ATOM 1692 CA GLY A 108 18.589 7.718 -7.203 1.00 65.55 C ATOM 1693 C GLY A 108 17.713 7.786 -5.953 1.00 74.33 C ATOM 1694 O GLY A 108 18.280 7.666 -4.865 1.00 2.02 O ATOM 0 H GLY A 108 17.907 7.800 -9.164 1.00 73.12 H new ATOM 0 HA2 GLY A 108 18.755 6.672 -7.461 1.00 65.55 H new ATOM 0 HA3 GLY A 108 19.564 8.148 -6.974 1.00 65.55 H new ATOM 1698 N LYS A 109 16.384 7.975 -6.054 1.00 23.22 N ATOM 1699 CA LYS A 109 15.485 7.793 -4.914 1.00 41.45 C ATOM 1700 C LYS A 109 14.343 6.873 -5.289 1.00 3.23 C ATOM 1701 O LYS A 109 13.886 6.897 -6.433 1.00 22.23 O ATOM 1702 CB LYS A 109 14.991 9.133 -4.370 1.00 10.41 C ATOM 1703 CG LYS A 109 14.334 10.066 -5.395 1.00 3.42 C ATOM 1704 CD LYS A 109 14.545 11.517 -4.974 1.00 45.45 C ATOM 1705 CE LYS A 109 15.979 11.947 -5.329 1.00 21.51 C ATOM 1706 NZ LYS A 109 16.388 13.162 -4.604 1.00 70.25 N ATOM 0 H LYS A 109 15.915 8.254 -6.916 1.00 23.22 H new ATOM 0 HA LYS A 109 16.043 7.319 -4.106 1.00 41.45 H new ATOM 0 HB2 LYS A 109 14.275 8.938 -3.572 1.00 10.41 H new ATOM 0 HB3 LYS A 109 15.835 9.655 -3.920 1.00 10.41 H new ATOM 0 HG2 LYS A 109 14.763 9.897 -6.383 1.00 3.42 H new ATOM 0 HG3 LYS A 109 13.268 9.849 -5.469 1.00 3.42 H new ATOM 0 HD2 LYS A 109 13.825 12.162 -5.477 1.00 45.45 H new ATOM 0 HD3 LYS A 109 14.376 11.625 -3.903 1.00 45.45 H new ATOM 0 HE2 LYS A 109 16.669 11.136 -5.095 1.00 21.51 H new ATOM 0 HE3 LYS A 109 16.049 12.125 -6.402 1.00 21.51 H new ATOM 0 HZ1 LYS A 109 17.360 13.416 -4.873 1.00 70.25 H new ATOM 0 HZ2 LYS A 109 15.746 13.944 -4.846 1.00 70.25 H new ATOM 0 HZ3 LYS A 109 16.347 12.986 -3.580 1.00 70.25 H new ATOM 1720 N TRP A 110 13.909 6.057 -4.330 1.00 10.00 N ATOM 1721 CA TRP A 110 12.768 5.173 -4.511 1.00 64.42 C ATOM 1722 C TRP A 110 11.477 5.975 -4.324 1.00 32.24 C ATOM 1723 O TRP A 110 11.483 7.006 -3.644 1.00 14.34 O ATOM 1724 CB TRP A 110 12.864 3.987 -3.539 1.00 51.34 C ATOM 1725 CG TRP A 110 13.852 2.927 -3.933 1.00 52.15 C ATOM 1726 CD1 TRP A 110 15.150 2.855 -3.561 1.00 51.14 C ATOM 1727 CD2 TRP A 110 13.643 1.800 -4.839 1.00 5.00 C ATOM 1728 NE1 TRP A 110 15.746 1.758 -4.147 1.00 34.14 N ATOM 1729 CE2 TRP A 110 14.870 1.085 -4.978 1.00 3.22 C ATOM 1730 CE3 TRP A 110 12.553 1.353 -5.614 1.00 50.23 C ATOM 1731 CZ2 TRP A 110 15.000 -0.003 -5.860 1.00 3.03 C ATOM 1732 CZ3 TRP A 110 12.676 0.270 -6.505 1.00 73.25 C ATOM 1733 CH2 TRP A 110 13.900 -0.408 -6.631 1.00 32.10 C ATOM 0 H TRP A 110 14.341 5.993 -3.408 1.00 10.00 H new ATOM 0 HA TRP A 110 12.764 4.760 -5.520 1.00 64.42 H new ATOM 0 HB2 TRP A 110 13.132 4.365 -2.552 1.00 51.34 H new ATOM 0 HB3 TRP A 110 11.879 3.530 -3.448 1.00 51.34 H new ATOM 0 HD1 TRP A 110 15.646 3.553 -2.903 1.00 51.14 H new ATOM 0 HE1 TRP A 110 16.714 1.478 -3.987 1.00 34.14 H new ATOM 0 HE3 TRP A 110 11.601 1.854 -5.522 1.00 50.23 H new ATOM 0 HZ2 TRP A 110 15.942 -0.524 -5.943 1.00 3.03 H new ATOM 0 HZ3 TRP A 110 11.826 -0.041 -7.094 1.00 73.25 H new ATOM 0 HH2 TRP A 110 13.994 -1.236 -7.318 1.00 32.10 H new ATOM 1744 N TYR A 111 10.372 5.526 -4.915 1.00 2.43 N ATOM 1745 CA TYR A 111 9.020 6.031 -4.705 1.00 32.41 C ATOM 1746 C TYR A 111 8.011 4.919 -5.046 1.00 4.42 C ATOM 1747 O TYR A 111 8.359 3.941 -5.706 1.00 31.40 O ATOM 1748 CB TYR A 111 8.795 7.298 -5.546 1.00 23.23 C ATOM 1749 CG TYR A 111 9.053 7.136 -7.029 1.00 43.43 C ATOM 1750 CD1 TYR A 111 10.360 7.124 -7.554 1.00 3.52 C ATOM 1751 CD2 TYR A 111 7.965 6.946 -7.888 1.00 53.32 C ATOM 1752 CE1 TYR A 111 10.569 6.871 -8.919 1.00 63.42 C ATOM 1753 CE2 TYR A 111 8.172 6.777 -9.264 1.00 43.25 C ATOM 1754 CZ TYR A 111 9.472 6.702 -9.786 1.00 30.34 C ATOM 1755 OH TYR A 111 9.637 6.467 -11.113 1.00 3.40 O ATOM 0 H TYR A 111 10.399 4.760 -5.588 1.00 2.43 H new ATOM 0 HA TYR A 111 8.877 6.310 -3.661 1.00 32.41 H new ATOM 0 HB2 TYR A 111 7.767 7.631 -5.406 1.00 23.23 H new ATOM 0 HB3 TYR A 111 9.441 8.089 -5.164 1.00 23.23 H new ATOM 0 HD1 TYR A 111 11.203 7.310 -6.905 1.00 3.52 H new ATOM 0 HD2 TYR A 111 6.961 6.929 -7.489 1.00 53.32 H new ATOM 0 HE1 TYR A 111 11.575 6.806 -9.306 1.00 63.42 H new ATOM 0 HE2 TYR A 111 7.323 6.704 -9.928 1.00 43.25 H new ATOM 0 HH TYR A 111 9.001 5.781 -11.405 1.00 3.40 H new ATOM 1765 N VAL A 112 6.770 5.034 -4.572 1.00 32.43 N ATOM 1766 CA VAL A 112 5.653 4.136 -4.858 1.00 11.13 C ATOM 1767 C VAL A 112 4.779 4.802 -5.924 1.00 1.22 C ATOM 1768 O VAL A 112 4.718 6.038 -5.978 1.00 71.45 O ATOM 1769 CB VAL A 112 4.890 3.898 -3.536 1.00 23.42 C ATOM 1770 CG1 VAL A 112 3.550 3.178 -3.689 1.00 72.23 C ATOM 1771 CG2 VAL A 112 5.750 3.112 -2.532 1.00 71.03 C ATOM 0 H VAL A 112 6.504 5.795 -3.947 1.00 32.43 H new ATOM 0 HA VAL A 112 5.978 3.169 -5.242 1.00 11.13 H new ATOM 0 HB VAL A 112 4.676 4.902 -3.169 1.00 23.42 H new ATOM 0 HG11 VAL A 112 3.089 3.056 -2.709 1.00 72.23 H new ATOM 0 HG12 VAL A 112 2.892 3.766 -4.329 1.00 72.23 H new ATOM 0 HG13 VAL A 112 3.713 2.198 -4.138 1.00 72.23 H new ATOM 0 HG21 VAL A 112 5.187 2.960 -1.611 1.00 71.03 H new ATOM 0 HG22 VAL A 112 6.016 2.145 -2.959 1.00 71.03 H new ATOM 0 HG23 VAL A 112 6.658 3.674 -2.313 1.00 71.03 H new ATOM 1781 N THR A 113 4.090 4.006 -6.745 1.00 72.15 N ATOM 1782 CA THR A 113 3.284 4.500 -7.865 1.00 52.23 C ATOM 1783 C THR A 113 1.925 3.801 -8.017 1.00 10.43 C ATOM 1784 O THR A 113 1.056 4.332 -8.719 1.00 71.02 O ATOM 1785 CB THR A 113 4.108 4.374 -9.156 1.00 22.34 C ATOM 1786 OG1 THR A 113 4.590 3.056 -9.310 1.00 65.01 O ATOM 1787 CG2 THR A 113 5.314 5.291 -9.130 1.00 65.23 C ATOM 0 H THR A 113 4.075 2.990 -6.650 1.00 72.15 H new ATOM 0 HA THR A 113 3.044 5.543 -7.656 1.00 52.23 H new ATOM 0 HB THR A 113 3.447 4.645 -9.979 1.00 22.34 H new ATOM 0 HG1 THR A 113 5.220 3.023 -10.060 1.00 65.01 H new ATOM 0 HG21 THR A 113 5.876 5.179 -10.057 1.00 65.23 H new ATOM 0 HG22 THR A 113 4.983 6.325 -9.029 1.00 65.23 H new ATOM 0 HG23 THR A 113 5.951 5.030 -8.285 1.00 65.23 H new ATOM 1795 N ASP A 114 1.703 2.672 -7.334 1.00 32.20 N ATOM 1796 CA ASP A 114 0.470 1.889 -7.414 1.00 11.10 C ATOM 1797 C ASP A 114 0.173 1.248 -6.064 1.00 32.34 C ATOM 1798 O ASP A 114 1.119 1.007 -5.305 1.00 62.45 O ATOM 1799 CB ASP A 114 0.622 0.785 -8.465 1.00 34.24 C ATOM 1800 CG ASP A 114 -0.759 0.376 -8.947 1.00 43.22 C ATOM 1801 OD1 ASP A 114 -1.418 1.266 -9.519 1.00 33.22 O ATOM 1802 OD2 ASP A 114 -1.201 -0.777 -8.745 1.00 45.45 O ATOM 0 H ASP A 114 2.392 2.271 -6.697 1.00 32.20 H new ATOM 0 HA ASP A 114 -0.348 2.553 -7.693 1.00 11.10 H new ATOM 0 HB2 ASP A 114 1.224 1.140 -9.301 1.00 34.24 H new ATOM 0 HB3 ASP A 114 1.143 -0.073 -8.039 1.00 34.24 H new ATOM 1807 N CYS A 115 -1.092 0.948 -5.746 1.00 25.02 N ATOM 1808 CA CYS A 115 -1.475 0.261 -4.519 1.00 65.24 C ATOM 1809 C CYS A 115 -2.670 -0.661 -4.761 1.00 30.44 C ATOM 1810 O CYS A 115 -3.398 -0.548 -5.749 1.00 54.34 O ATOM 1811 CB CYS A 115 -1.837 1.297 -3.437 1.00 74.41 C ATOM 1812 SG CYS A 115 -1.774 0.576 -1.762 1.00 61.44 S ATOM 0 H CYS A 115 -1.884 1.181 -6.345 1.00 25.02 H new ATOM 0 HA CYS A 115 -0.632 -0.344 -4.185 1.00 65.24 H new ATOM 0 HB2 CYS A 115 -1.149 2.140 -3.496 1.00 74.41 H new ATOM 0 HB3 CYS A 115 -2.837 1.688 -3.627 1.00 74.41 H new ATOM 0 HG CYS A 115 -1.118 1.373 -0.971 1.00 61.44 H new ATOM 1818 N TYR A 116 -2.892 -1.525 -3.776 1.00 52.13 N ATOM 1819 CA TYR A 116 -4.057 -2.352 -3.568 1.00 25.03 C ATOM 1820 C TYR A 116 -4.091 -2.545 -2.043 1.00 74.14 C ATOM 1821 O TYR A 116 -3.213 -3.225 -1.511 1.00 21.10 O ATOM 1822 CB TYR A 116 -3.802 -3.641 -4.365 1.00 30.33 C ATOM 1823 CG TYR A 116 -4.982 -4.467 -4.796 1.00 65.31 C ATOM 1824 CD1 TYR A 116 -6.027 -3.870 -5.521 1.00 21.00 C ATOM 1825 CD2 TYR A 116 -4.959 -5.861 -4.604 1.00 43.25 C ATOM 1826 CE1 TYR A 116 -7.073 -4.662 -6.014 1.00 70.13 C ATOM 1827 CE2 TYR A 116 -5.986 -6.660 -5.125 1.00 30.22 C ATOM 1828 CZ TYR A 116 -7.056 -6.062 -5.821 1.00 50.44 C ATOM 1829 OH TYR A 116 -8.073 -6.827 -6.302 1.00 3.34 O ATOM 0 H TYR A 116 -2.196 -1.671 -3.044 1.00 52.13 H new ATOM 0 HA TYR A 116 -5.017 -1.957 -3.900 1.00 25.03 H new ATOM 0 HB2 TYR A 116 -3.242 -3.371 -5.261 1.00 30.33 H new ATOM 0 HB3 TYR A 116 -3.154 -4.279 -3.764 1.00 30.33 H new ATOM 0 HD1 TYR A 116 -6.024 -2.805 -5.698 1.00 21.00 H new ATOM 0 HD2 TYR A 116 -4.148 -6.316 -4.054 1.00 43.25 H new ATOM 0 HE1 TYR A 116 -7.894 -4.201 -6.543 1.00 70.13 H new ATOM 0 HE2 TYR A 116 -5.958 -7.732 -4.993 1.00 30.22 H new ATOM 0 HH TYR A 116 -7.906 -7.768 -6.085 1.00 3.34 H new ATOM 1839 N ASN A 117 -4.969 -1.837 -1.317 1.00 65.04 N ATOM 1840 CA ASN A 117 -5.156 -1.976 0.137 1.00 53.41 C ATOM 1841 C ASN A 117 -6.649 -2.100 0.420 1.00 12.11 C ATOM 1842 O ASN A 117 -7.437 -1.332 -0.145 1.00 65.21 O ATOM 1843 CB ASN A 117 -4.607 -0.789 0.966 1.00 50.41 C ATOM 1844 CG ASN A 117 -4.461 -1.151 2.447 1.00 44.43 C ATOM 1845 OD1 ASN A 117 -4.756 -2.257 2.875 1.00 44.43 O ATOM 1846 ND2 ASN A 117 -3.943 -0.257 3.268 1.00 25.04 N ATOM 0 H ASN A 117 -5.583 -1.136 -1.732 1.00 65.04 H new ATOM 0 HA ASN A 117 -4.592 -2.859 0.439 1.00 53.41 H new ATOM 0 HB2 ASN A 117 -3.639 -0.485 0.569 1.00 50.41 H new ATOM 0 HB3 ASN A 117 -5.276 0.066 0.865 1.00 50.41 H new ATOM 0 HD21 ASN A 117 -3.793 -0.492 4.249 1.00 25.04 H new ATOM 0 HD22 ASN A 117 -3.693 0.669 2.922 1.00 25.04 H new ATOM 1853 N ASP A 118 -7.043 -3.017 1.301 1.00 1.53 N ATOM 1854 CA ASP A 118 -8.424 -3.492 1.396 1.00 11.11 C ATOM 1855 C ASP A 118 -9.378 -2.464 2.003 1.00 30.23 C ATOM 1856 O ASP A 118 -10.591 -2.564 1.812 1.00 45.34 O ATOM 1857 CB ASP A 118 -8.492 -4.818 2.165 1.00 61.44 C ATOM 1858 CG ASP A 118 -9.295 -5.839 1.363 1.00 64.31 C ATOM 1859 OD1 ASP A 118 -8.747 -6.333 0.350 1.00 13.33 O ATOM 1860 OD2 ASP A 118 -10.439 -6.178 1.738 1.00 63.45 O ATOM 0 H ASP A 118 -6.412 -3.454 1.972 1.00 1.53 H new ATOM 0 HA ASP A 118 -8.762 -3.655 0.373 1.00 11.11 H new ATOM 0 HB2 ASP A 118 -7.486 -5.195 2.348 1.00 61.44 H new ATOM 0 HB3 ASP A 118 -8.955 -4.661 3.139 1.00 61.44 H new ATOM 1865 N TRP A 119 -8.841 -1.412 2.637 1.00 73.22 N ATOM 1866 CA TRP A 119 -9.570 -0.193 3.004 1.00 62.03 C ATOM 1867 C TRP A 119 -10.408 0.364 1.847 1.00 34.43 C ATOM 1868 O TRP A 119 -11.390 1.064 2.069 1.00 73.25 O ATOM 1869 CB TRP A 119 -8.572 0.888 3.455 1.00 30.40 C ATOM 1870 CG TRP A 119 -8.073 0.784 4.859 1.00 4.54 C ATOM 1871 CD1 TRP A 119 -6.784 0.681 5.260 1.00 62.41 C ATOM 1872 CD2 TRP A 119 -8.866 0.865 6.080 1.00 21.43 C ATOM 1873 NE1 TRP A 119 -6.735 0.670 6.640 1.00 70.42 N ATOM 1874 CE2 TRP A 119 -7.984 0.814 7.197 1.00 62.12 C ATOM 1875 CE3 TRP A 119 -10.243 1.011 6.348 1.00 53.42 C ATOM 1876 CZ2 TRP A 119 -8.443 0.905 8.516 1.00 64.03 C ATOM 1877 CZ3 TRP A 119 -10.723 1.106 7.665 1.00 22.23 C ATOM 1878 CH2 TRP A 119 -9.819 1.058 8.741 1.00 62.11 C ATOM 0 H TRP A 119 -7.860 -1.386 2.916 1.00 73.22 H new ATOM 0 HA TRP A 119 -10.251 -0.460 3.813 1.00 62.03 H new ATOM 0 HB2 TRP A 119 -7.713 0.862 2.784 1.00 30.40 H new ATOM 0 HB3 TRP A 119 -9.044 1.863 3.331 1.00 30.40 H new ATOM 0 HD1 TRP A 119 -5.929 0.617 4.604 1.00 62.41 H new ATOM 0 HE1 TRP A 119 -5.876 0.567 7.181 1.00 70.42 H new ATOM 0 HE3 TRP A 119 -10.942 1.051 5.525 1.00 53.42 H new ATOM 0 HZ2 TRP A 119 -7.751 0.858 9.344 1.00 64.03 H new ATOM 0 HZ3 TRP A 119 -11.781 1.215 7.850 1.00 22.23 H new ATOM 0 HH2 TRP A 119 -10.188 1.140 9.753 1.00 62.11 H new ATOM 1889 N TYR A 120 -10.022 0.063 0.606 1.00 64.42 N ATOM 1890 CA TYR A 120 -10.779 0.401 -0.576 1.00 33.33 C ATOM 1891 C TYR A 120 -10.802 -0.872 -1.445 1.00 64.12 C ATOM 1892 O TYR A 120 -9.979 -1.050 -2.351 1.00 70.04 O ATOM 1893 CB TYR A 120 -10.214 1.698 -1.202 1.00 70.01 C ATOM 1894 CG TYR A 120 -9.836 2.811 -0.207 1.00 41.31 C ATOM 1895 CD1 TYR A 120 -10.771 3.793 0.214 1.00 4.31 C ATOM 1896 CD2 TYR A 120 -8.529 2.826 0.335 1.00 12.52 C ATOM 1897 CE1 TYR A 120 -10.397 4.767 1.172 1.00 2.14 C ATOM 1898 CE2 TYR A 120 -8.163 3.778 1.305 1.00 1.53 C ATOM 1899 CZ TYR A 120 -9.106 4.738 1.736 1.00 10.23 C ATOM 1900 OH TYR A 120 -8.765 5.663 2.672 1.00 54.54 O ATOM 0 H TYR A 120 -9.154 -0.433 0.402 1.00 64.42 H new ATOM 0 HA TYR A 120 -11.821 0.665 -0.398 1.00 33.33 H new ATOM 0 HB2 TYR A 120 -9.330 1.442 -1.786 1.00 70.01 H new ATOM 0 HB3 TYR A 120 -10.952 2.095 -1.899 1.00 70.01 H new ATOM 0 HD1 TYR A 120 -11.770 3.797 -0.197 1.00 4.31 H new ATOM 0 HD2 TYR A 120 -7.804 2.099 0.001 1.00 12.52 H new ATOM 0 HE1 TYR A 120 -11.100 5.531 1.470 1.00 2.14 H new ATOM 0 HE2 TYR A 120 -7.165 3.775 1.718 1.00 1.53 H new ATOM 0 HH TYR A 120 -7.792 5.778 2.679 1.00 54.54 H new ATOM 1910 N ASN A 121 -11.686 -1.813 -1.091 1.00 62.41 N ATOM 1911 CA ASN A 121 -12.092 -3.029 -1.820 1.00 4.53 C ATOM 1912 C ASN A 121 -13.534 -2.785 -2.250 1.00 22.11 C ATOM 1913 O ASN A 121 -14.016 -1.657 -2.156 1.00 14.32 O ATOM 1914 CB ASN A 121 -11.906 -4.313 -0.983 1.00 54.35 C ATOM 1915 CG ASN A 121 -13.027 -4.535 0.015 1.00 54.35 C ATOM 1916 OD1 ASN A 121 -13.937 -5.308 -0.265 1.00 12.13 O ATOM 1917 ND2 ASN A 121 -13.026 -3.808 1.116 1.00 1.50 N ATOM 0 H ASN A 121 -12.184 -1.739 -0.204 1.00 62.41 H new ATOM 0 HA ASN A 121 -11.458 -3.205 -2.689 1.00 4.53 H new ATOM 0 HB2 ASN A 121 -11.847 -5.171 -1.652 1.00 54.35 H new ATOM 0 HB3 ASN A 121 -10.957 -4.259 -0.450 1.00 54.35 H new ATOM 0 HD21 ASN A 121 -13.803 -3.877 1.773 1.00 1.50 H new ATOM 0 HD22 ASN A 121 -12.248 -3.177 1.310 1.00 1.50 H new ATOM 1924 N PHE A 122 -14.180 -3.769 -2.858 1.00 5.10 N ATOM 1925 CA PHE A 122 -15.350 -3.598 -3.673 1.00 42.11 C ATOM 1926 C PHE A 122 -16.536 -3.243 -2.821 1.00 61.24 C ATOM 1927 O PHE A 122 -17.381 -2.423 -3.203 1.00 72.23 O ATOM 1928 CB PHE A 122 -15.725 -4.657 -4.666 1.00 50.31 C ATOM 1929 CG PHE A 122 -15.506 -6.005 -4.143 1.00 14.34 C ATOM 1930 CD1 PHE A 122 -14.161 -6.330 -3.980 1.00 72.42 C ATOM 1931 CD2 PHE A 122 -16.508 -6.829 -3.633 1.00 31.03 C ATOM 1932 CE1 PHE A 122 -13.790 -7.458 -3.294 1.00 73.33 C ATOM 1933 CE2 PHE A 122 -16.158 -7.977 -2.948 1.00 14.24 C ATOM 1934 CZ PHE A 122 -14.787 -8.284 -2.754 1.00 74.15 C ATOM 0 H PHE A 122 -13.883 -4.742 -2.788 1.00 5.10 H new ATOM 0 HA PHE A 122 -15.039 -2.783 -4.326 1.00 42.11 H new ATOM 0 HB2 PHE A 122 -16.774 -4.541 -4.940 1.00 50.31 H new ATOM 0 HB3 PHE A 122 -15.141 -4.523 -5.576 1.00 50.31 H new ATOM 0 HD1 PHE A 122 -13.402 -5.686 -4.399 1.00 72.42 H new ATOM 0 HD2 PHE A 122 -17.548 -6.573 -3.772 1.00 31.03 H new ATOM 0 HE1 PHE A 122 -12.746 -7.707 -3.171 1.00 73.33 H new ATOM 0 HE2 PHE A 122 -16.923 -8.635 -2.563 1.00 14.24 H new ATOM 0 HZ PHE A 122 -14.509 -9.160 -2.187 1.00 74.15 H new ATOM 1944 N ASP A 123 -16.548 -3.921 -1.696 1.00 11.40 N ATOM 1945 CA ASP A 123 -17.520 -3.944 -0.631 1.00 71.43 C ATOM 1946 C ASP A 123 -17.713 -2.558 0.020 1.00 50.51 C ATOM 1947 O ASP A 123 -18.255 -2.473 1.098 1.00 30.22 O ATOM 1948 CB ASP A 123 -17.052 -4.979 0.412 1.00 53.34 C ATOM 1949 CG ASP A 123 -18.141 -5.437 1.382 1.00 63.25 C ATOM 1950 OD1 ASP A 123 -19.192 -5.920 0.896 1.00 41.31 O ATOM 1951 OD2 ASP A 123 -17.887 -5.509 2.611 1.00 70.31 O ATOM 0 H ASP A 123 -15.774 -4.550 -1.482 1.00 11.40 H new ATOM 0 HA ASP A 123 -18.491 -4.221 -1.041 1.00 71.43 H new ATOM 0 HB2 ASP A 123 -16.659 -5.851 -0.111 1.00 53.34 H new ATOM 0 HB3 ASP A 123 -16.229 -4.552 0.985 1.00 53.34 H new ATOM 1956 N LEU A 124 -17.202 -1.495 -0.657 1.00 74.32 N ATOM 1957 CA LEU A 124 -17.103 -0.155 -0.082 1.00 74.03 C ATOM 1958 C LEU A 124 -17.951 0.780 -0.954 1.00 65.22 C ATOM 1959 O LEU A 124 -17.452 1.383 -1.909 1.00 73.42 O ATOM 1960 CB LEU A 124 -15.602 0.221 -0.019 1.00 30.02 C ATOM 1961 CG LEU A 124 -15.346 1.148 1.171 1.00 71.14 C ATOM 1962 CD1 LEU A 124 -16.350 2.301 1.271 1.00 54.55 C ATOM 1963 CD2 LEU A 124 -15.336 0.324 2.469 1.00 73.34 C ATOM 0 H LEU A 124 -16.852 -1.558 -1.613 1.00 74.32 H new ATOM 0 HA LEU A 124 -17.488 -0.084 0.935 1.00 74.03 H new ATOM 0 HB2 LEU A 124 -14.996 -0.680 0.074 1.00 30.02 H new ATOM 0 HB3 LEU A 124 -15.302 0.712 -0.945 1.00 30.02 H new ATOM 0 HG LEU A 124 -14.372 1.612 1.014 1.00 71.14 H new ATOM 0 HD11 LEU A 124 -16.110 2.919 2.136 1.00 54.55 H new ATOM 0 HD12 LEU A 124 -16.299 2.908 0.367 1.00 54.55 H new ATOM 0 HD13 LEU A 124 -17.357 1.898 1.381 1.00 54.55 H new ATOM 0 HD21 LEU A 124 -15.154 0.984 3.317 1.00 73.34 H new ATOM 0 HD22 LEU A 124 -16.300 -0.170 2.594 1.00 73.34 H new ATOM 0 HD23 LEU A 124 -14.548 -0.427 2.417 1.00 73.34 H new ATOM 1975 N PRO A 125 -19.260 0.892 -0.705 1.00 63.04 N ATOM 1976 CA PRO A 125 -20.133 1.697 -1.541 1.00 1.53 C ATOM 1977 C PRO A 125 -19.805 3.189 -1.374 1.00 71.33 C ATOM 1978 O PRO A 125 -19.419 3.648 -0.298 1.00 42.25 O ATOM 1979 CB PRO A 125 -21.537 1.351 -1.063 1.00 25.14 C ATOM 1980 CG PRO A 125 -21.336 1.074 0.421 1.00 13.23 C ATOM 1981 CD PRO A 125 -19.989 0.359 0.436 1.00 50.34 C ATOM 0 HA PRO A 125 -20.019 1.495 -2.606 1.00 1.53 H new ATOM 0 HB2 PRO A 125 -22.234 2.173 -1.229 1.00 25.14 H new ATOM 0 HB3 PRO A 125 -21.938 0.482 -1.585 1.00 25.14 H new ATOM 0 HG2 PRO A 125 -21.316 1.993 1.007 1.00 13.23 H new ATOM 0 HG3 PRO A 125 -22.132 0.452 0.830 1.00 13.23 H new ATOM 0 HD2 PRO A 125 -19.454 0.547 1.367 1.00 50.34 H new ATOM 0 HD3 PRO A 125 -20.115 -0.720 0.353 1.00 50.34 H new ATOM 1989 N ILE A 126 -20.019 3.975 -2.433 1.00 62.31 N ATOM 1990 CA ILE A 126 -19.656 5.400 -2.478 1.00 72.24 C ATOM 1991 C ILE A 126 -20.355 6.185 -1.351 1.00 71.05 C ATOM 1992 O ILE A 126 -19.809 7.165 -0.828 1.00 31.20 O ATOM 1993 CB ILE A 126 -19.994 5.977 -3.873 1.00 51.32 C ATOM 1994 CG1 ILE A 126 -19.227 5.216 -4.987 1.00 33.23 C ATOM 1995 CG2 ILE A 126 -19.661 7.474 -4.014 1.00 42.42 C ATOM 1996 CD1 ILE A 126 -20.162 4.588 -6.015 1.00 34.42 C ATOM 0 H ILE A 126 -20.453 3.640 -3.293 1.00 62.31 H new ATOM 0 HA ILE A 126 -18.583 5.501 -2.315 1.00 72.24 H new ATOM 0 HB ILE A 126 -21.071 5.851 -3.980 1.00 51.32 H new ATOM 0 HG12 ILE A 126 -18.548 5.904 -5.491 1.00 33.23 H new ATOM 0 HG13 ILE A 126 -18.614 4.437 -4.534 1.00 33.23 H new ATOM 0 HG21 ILE A 126 -19.923 7.812 -5.016 1.00 42.42 H new ATOM 0 HG22 ILE A 126 -20.229 8.044 -3.279 1.00 42.42 H new ATOM 0 HG23 ILE A 126 -18.595 7.627 -3.847 1.00 42.42 H new ATOM 0 HD11 ILE A 126 -19.574 4.068 -6.772 1.00 34.42 H new ATOM 0 HD12 ILE A 126 -20.824 3.878 -5.519 1.00 34.42 H new ATOM 0 HD13 ILE A 126 -20.757 5.368 -6.490 1.00 34.42 H new ATOM 2008 N ASN A 127 -21.561 5.742 -0.982 1.00 10.31 N ATOM 2009 CA ASN A 127 -22.407 6.361 0.035 1.00 24.12 C ATOM 2010 C ASN A 127 -21.905 6.189 1.469 1.00 42.12 C ATOM 2011 O ASN A 127 -22.364 6.914 2.348 1.00 34.04 O ATOM 2012 CB ASN A 127 -23.842 5.842 -0.087 1.00 25.22 C ATOM 2013 CG ASN A 127 -23.977 4.338 -0.272 1.00 2.44 C ATOM 2014 OD1 ASN A 127 -23.886 3.872 -1.403 1.00 44.41 O ATOM 2015 ND2 ASN A 127 -24.197 3.548 0.760 1.00 53.34 N ATOM 0 H ASN A 127 -21.987 4.914 -1.399 1.00 10.31 H new ATOM 0 HA ASN A 127 -22.370 7.432 -0.163 1.00 24.12 H new ATOM 0 HB2 ASN A 127 -24.393 6.132 0.808 1.00 25.22 H new ATOM 0 HB3 ASN A 127 -24.320 6.339 -0.931 1.00 25.22 H new ATOM 0 HD21 ASN A 127 -24.293 2.542 0.621 1.00 53.34 H new ATOM 0 HD22 ASN A 127 -24.271 3.943 1.698 1.00 53.34 H new ATOM 2022 N GLU A 128 -20.964 5.275 1.680 1.00 10.14 N ATOM 2023 CA GLU A 128 -20.280 5.010 2.964 1.00 12.23 C ATOM 2024 C GLU A 128 -18.750 5.234 2.867 1.00 21.32 C ATOM 2025 O GLU A 128 -17.979 4.957 3.796 1.00 42.33 O ATOM 2026 CB GLU A 128 -20.605 3.580 3.434 1.00 53.52 C ATOM 2027 CG GLU A 128 -22.102 3.312 3.674 1.00 32.12 C ATOM 2028 CD GLU A 128 -22.471 3.300 5.160 1.00 71.44 C ATOM 2029 OE1 GLU A 128 -22.425 4.352 5.825 1.00 32.24 O ATOM 2030 OE2 GLU A 128 -22.853 2.213 5.664 1.00 1.23 O ATOM 0 H GLU A 128 -20.634 4.664 0.933 1.00 10.14 H new ATOM 0 HA GLU A 128 -20.650 5.723 3.701 1.00 12.23 H new ATOM 0 HB2 GLU A 128 -20.237 2.874 2.689 1.00 53.52 H new ATOM 0 HB3 GLU A 128 -20.061 3.382 4.357 1.00 53.52 H new ATOM 0 HG2 GLU A 128 -22.690 4.076 3.164 1.00 32.12 H new ATOM 0 HG3 GLU A 128 -22.371 2.354 3.230 1.00 32.12 H new ATOM 2037 N LEU A 129 -18.272 5.717 1.715 1.00 21.30 N ATOM 2038 CA LEU A 129 -16.858 5.920 1.421 1.00 1.13 C ATOM 2039 C LEU A 129 -16.248 6.972 2.326 1.00 31.10 C ATOM 2040 O LEU A 129 -15.162 6.780 2.870 1.00 34.41 O ATOM 2041 CB LEU A 129 -16.716 6.262 -0.060 1.00 23.40 C ATOM 2042 CG LEU A 129 -15.262 6.166 -0.543 1.00 25.10 C ATOM 2043 CD1 LEU A 129 -15.278 5.970 -2.061 1.00 54.12 C ATOM 2044 CD2 LEU A 129 -14.446 7.422 -0.297 1.00 24.21 C ATOM 0 H LEU A 129 -18.881 5.984 0.941 1.00 21.30 H new ATOM 0 HA LEU A 129 -16.301 5.005 1.623 1.00 1.13 H new ATOM 0 HB2 LEU A 129 -17.337 5.586 -0.648 1.00 23.40 H new ATOM 0 HB3 LEU A 129 -17.089 7.271 -0.235 1.00 23.40 H new ATOM 0 HG LEU A 129 -14.809 5.345 0.012 1.00 25.10 H new ATOM 0 HD11 LEU A 129 -14.255 5.899 -2.429 1.00 54.12 H new ATOM 0 HD12 LEU A 129 -15.816 5.054 -2.304 1.00 54.12 H new ATOM 0 HD13 LEU A 129 -15.775 6.818 -2.532 1.00 54.12 H new ATOM 0 HD21 LEU A 129 -13.431 7.275 -0.666 1.00 24.21 H new ATOM 0 HD22 LEU A 129 -14.904 8.262 -0.820 1.00 24.21 H new ATOM 0 HD23 LEU A 129 -14.416 7.633 0.772 1.00 24.21 H new ATOM 2056 N GLU A 130 -16.924 8.101 2.446 1.00 24.14 N ATOM 2057 CA GLU A 130 -16.424 9.240 3.201 1.00 62.02 C ATOM 2058 C GLU A 130 -16.217 8.881 4.679 1.00 14.42 C ATOM 2059 O GLU A 130 -15.308 9.419 5.311 1.00 54.11 O ATOM 2060 CB GLU A 130 -17.369 10.432 3.020 1.00 43.52 C ATOM 2061 CG GLU A 130 -17.540 10.806 1.541 1.00 52.55 C ATOM 2062 CD GLU A 130 -18.410 12.043 1.335 1.00 31.20 C ATOM 2063 OE1 GLU A 130 -18.143 13.087 1.971 1.00 53.42 O ATOM 2064 OE2 GLU A 130 -19.277 11.984 0.422 1.00 4.42 O ATOM 0 H GLU A 130 -17.839 8.256 2.022 1.00 24.14 H new ATOM 0 HA GLU A 130 -15.445 9.523 2.815 1.00 62.02 H new ATOM 0 HB2 GLU A 130 -18.342 10.193 3.449 1.00 43.52 H new ATOM 0 HB3 GLU A 130 -16.981 11.290 3.569 1.00 43.52 H new ATOM 0 HG2 GLU A 130 -16.559 10.982 1.101 1.00 52.55 H new ATOM 0 HG3 GLU A 130 -17.983 9.964 1.008 1.00 52.55 H new ATOM 2071 N GLU A 131 -17.006 7.945 5.213 1.00 72.01 N ATOM 2072 CA GLU A 131 -16.843 7.397 6.557 1.00 2.33 C ATOM 2073 C GLU A 131 -15.586 6.518 6.619 1.00 72.44 C ATOM 2074 O GLU A 131 -14.832 6.545 7.585 1.00 24.43 O ATOM 2075 CB GLU A 131 -18.096 6.571 6.911 1.00 32.33 C ATOM 2076 CG GLU A 131 -18.386 6.525 8.421 1.00 34.40 C ATOM 2077 CD GLU A 131 -18.916 7.847 8.996 1.00 33.24 C ATOM 2078 OE1 GLU A 131 -19.040 8.846 8.253 1.00 32.13 O ATOM 2079 OE2 GLU A 131 -19.162 7.904 10.224 1.00 53.22 O ATOM 0 H GLU A 131 -17.794 7.539 4.708 1.00 72.01 H new ATOM 0 HA GLU A 131 -16.726 8.208 7.276 1.00 2.33 H new ATOM 0 HB2 GLU A 131 -18.959 6.992 6.395 1.00 32.33 H new ATOM 0 HB3 GLU A 131 -17.969 5.554 6.541 1.00 32.33 H new ATOM 0 HG2 GLU A 131 -19.114 5.738 8.617 1.00 34.40 H new ATOM 0 HG3 GLU A 131 -17.472 6.252 8.948 1.00 34.40 H new ATOM 2086 N THR A 132 -15.314 5.767 5.555 1.00 71.03 N ATOM 2087 CA THR A 132 -14.171 4.867 5.480 1.00 73.22 C ATOM 2088 C THR A 132 -12.856 5.651 5.448 1.00 53.23 C ATOM 2089 O THR A 132 -11.913 5.281 6.147 1.00 34.00 O ATOM 2090 CB THR A 132 -14.376 3.946 4.271 1.00 64.32 C ATOM 2091 OG1 THR A 132 -15.522 3.154 4.540 1.00 21.30 O ATOM 2092 CG2 THR A 132 -13.169 3.051 3.970 1.00 43.44 C ATOM 0 H THR A 132 -15.889 5.768 4.712 1.00 71.03 H new ATOM 0 HA THR A 132 -14.101 4.244 6.372 1.00 73.22 H new ATOM 0 HB THR A 132 -14.505 4.563 3.381 1.00 64.32 H new ATOM 0 HG1 THR A 132 -16.331 3.677 4.358 1.00 21.30 H new ATOM 0 HG21 THR A 132 -13.386 2.427 3.103 1.00 43.44 H new ATOM 0 HG22 THR A 132 -12.298 3.673 3.761 1.00 43.44 H new ATOM 0 HG23 THR A 132 -12.963 2.416 4.832 1.00 43.44 H new ATOM 2100 N ILE A 133 -12.775 6.751 4.686 1.00 14.24 N ATOM 2101 CA ILE A 133 -11.580 7.600 4.709 1.00 72.05 C ATOM 2102 C ILE A 133 -11.296 8.087 6.145 1.00 4.32 C ATOM 2103 O ILE A 133 -10.128 8.179 6.534 1.00 23.00 O ATOM 2104 CB ILE A 133 -11.687 8.762 3.688 1.00 72.02 C ATOM 2105 CG1 ILE A 133 -11.883 8.223 2.258 1.00 45.55 C ATOM 2106 CG2 ILE A 133 -10.375 9.565 3.664 1.00 64.34 C ATOM 2107 CD1 ILE A 133 -12.156 9.306 1.211 1.00 33.04 C ATOM 0 H ILE A 133 -13.512 7.069 4.056 1.00 14.24 H new ATOM 0 HA ILE A 133 -10.723 7.005 4.395 1.00 72.05 H new ATOM 0 HB ILE A 133 -12.534 9.377 3.992 1.00 72.02 H new ATOM 0 HG12 ILE A 133 -10.992 7.667 1.966 1.00 45.55 H new ATOM 0 HG13 ILE A 133 -12.713 7.517 2.259 1.00 45.55 H new ATOM 0 HG21 ILE A 133 -10.460 10.379 2.944 1.00 64.34 H new ATOM 0 HG22 ILE A 133 -10.182 9.976 4.655 1.00 64.34 H new ATOM 0 HG23 ILE A 133 -9.553 8.910 3.376 1.00 64.34 H new ATOM 0 HD11 ILE A 133 -12.282 8.843 0.232 1.00 33.04 H new ATOM 0 HD12 ILE A 133 -13.064 9.847 1.476 1.00 33.04 H new ATOM 0 HD13 ILE A 133 -11.316 10.000 1.178 1.00 33.04 H new ATOM 2119 N GLN A 134 -12.329 8.381 6.946 1.00 41.31 N ATOM 2120 CA GLN A 134 -12.125 8.799 8.334 1.00 74.12 C ATOM 2121 C GLN A 134 -11.543 7.641 9.150 1.00 63.32 C ATOM 2122 O GLN A 134 -10.625 7.851 9.944 1.00 13.43 O ATOM 2123 CB GLN A 134 -13.440 9.293 8.964 1.00 71.43 C ATOM 2124 CG GLN A 134 -14.077 10.488 8.233 1.00 32.30 C ATOM 2125 CD GLN A 134 -13.921 11.796 8.998 1.00 3.21 C ATOM 2126 OE1 GLN A 134 -14.728 12.125 9.858 1.00 71.05 O ATOM 2127 NE2 GLN A 134 -12.891 12.579 8.726 1.00 4.11 N ATOM 0 H GLN A 134 -13.306 8.337 6.657 1.00 41.31 H new ATOM 0 HA GLN A 134 -11.419 9.629 8.341 1.00 74.12 H new ATOM 0 HB2 GLN A 134 -14.154 8.469 8.982 1.00 71.43 H new ATOM 0 HB3 GLN A 134 -13.251 9.573 10.000 1.00 71.43 H new ATOM 0 HG2 GLN A 134 -13.621 10.591 7.248 1.00 32.30 H new ATOM 0 HG3 GLN A 134 -15.137 10.289 8.074 1.00 32.30 H new ATOM 0 HE21 GLN A 134 -12.218 12.306 8.010 1.00 4.11 H new ATOM 0 HE22 GLN A 134 -12.769 13.456 9.232 1.00 4.11 H new ATOM 2136 N ALA A 135 -12.025 6.414 8.924 1.00 21.20 N ATOM 2137 CA ALA A 135 -11.540 5.241 9.650 1.00 63.25 C ATOM 2138 C ALA A 135 -10.043 5.009 9.414 1.00 12.11 C ATOM 2139 O ALA A 135 -9.304 4.715 10.355 1.00 51.32 O ATOM 2140 CB ALA A 135 -12.330 3.995 9.252 1.00 21.41 C ATOM 0 H ALA A 135 -12.754 6.210 8.240 1.00 21.20 H new ATOM 0 HA ALA A 135 -11.689 5.433 10.713 1.00 63.25 H new ATOM 0 HB1 ALA A 135 -11.953 3.134 9.804 1.00 21.41 H new ATOM 0 HB2 ALA A 135 -13.384 4.143 9.486 1.00 21.41 H new ATOM 0 HB3 ALA A 135 -12.217 3.819 8.182 1.00 21.41 H new ATOM 2146 N VAL A 136 -9.571 5.200 8.179 1.00 25.01 N ATOM 2147 CA VAL A 136 -8.146 5.113 7.856 1.00 45.22 C ATOM 2148 C VAL A 136 -7.360 6.068 8.760 1.00 10.34 C ATOM 2149 O VAL A 136 -6.315 5.710 9.311 1.00 23.11 O ATOM 2150 CB VAL A 136 -7.951 5.431 6.355 1.00 41.21 C ATOM 2151 CG1 VAL A 136 -6.486 5.459 5.884 1.00 22.10 C ATOM 2152 CG2 VAL A 136 -8.723 4.403 5.506 1.00 12.11 C ATOM 0 H VAL A 136 -10.164 5.418 7.378 1.00 25.01 H new ATOM 0 HA VAL A 136 -7.767 4.107 8.037 1.00 45.22 H new ATOM 0 HB VAL A 136 -8.335 6.442 6.221 1.00 41.21 H new ATOM 0 HG11 VAL A 136 -6.450 5.690 4.819 1.00 22.10 H new ATOM 0 HG12 VAL A 136 -5.940 6.222 6.439 1.00 22.10 H new ATOM 0 HG13 VAL A 136 -6.029 4.485 6.060 1.00 22.10 H new ATOM 0 HG21 VAL A 136 -8.585 4.628 4.448 1.00 12.11 H new ATOM 0 HG22 VAL A 136 -8.347 3.402 5.716 1.00 12.11 H new ATOM 0 HG23 VAL A 136 -9.784 4.451 5.752 1.00 12.11 H new ATOM 2162 N GLN A 137 -7.863 7.292 8.917 1.00 44.13 N ATOM 2163 CA GLN A 137 -7.143 8.370 9.566 1.00 25.10 C ATOM 2164 C GLN A 137 -7.143 8.246 11.096 1.00 71.34 C ATOM 2165 O GLN A 137 -6.248 8.812 11.729 1.00 1.10 O ATOM 2166 CB GLN A 137 -7.724 9.705 9.081 1.00 34.33 C ATOM 2167 CG GLN A 137 -7.372 9.933 7.602 1.00 52.34 C ATOM 2168 CD GLN A 137 -8.204 11.013 6.915 1.00 41.13 C ATOM 2169 OE1 GLN A 137 -9.030 11.713 7.495 1.00 30.11 O ATOM 2170 NE2 GLN A 137 -7.999 11.170 5.617 1.00 11.20 N ATOM 0 H GLN A 137 -8.792 7.559 8.591 1.00 44.13 H new ATOM 0 HA GLN A 137 -6.091 8.315 9.286 1.00 25.10 H new ATOM 0 HB2 GLN A 137 -8.806 9.706 9.209 1.00 34.33 H new ATOM 0 HB3 GLN A 137 -7.331 10.522 9.686 1.00 34.33 H new ATOM 0 HG2 GLN A 137 -6.318 10.202 7.529 1.00 52.34 H new ATOM 0 HG3 GLN A 137 -7.499 8.995 7.062 1.00 52.34 H new ATOM 0 HE21 GLN A 137 -7.313 10.589 5.135 1.00 11.20 H new ATOM 0 HE22 GLN A 137 -8.527 11.872 5.099 1.00 11.20 H new ATOM 2179 N GLU A 138 -8.072 7.487 11.686 1.00 33.33 N ATOM 2180 CA GLU A 138 -8.043 7.086 13.093 1.00 22.43 C ATOM 2181 C GLU A 138 -6.803 6.244 13.376 1.00 70.34 C ATOM 2182 O GLU A 138 -6.070 6.497 14.329 1.00 62.11 O ATOM 2183 CB GLU A 138 -9.288 6.259 13.442 1.00 63.34 C ATOM 2184 CG GLU A 138 -10.477 7.091 13.917 1.00 71.44 C ATOM 2185 CD GLU A 138 -10.262 7.711 15.300 1.00 34.01 C ATOM 2186 OE1 GLU A 138 -9.680 8.816 15.370 1.00 61.03 O ATOM 2187 OE2 GLU A 138 -10.693 7.119 16.314 1.00 50.11 O ATOM 0 H GLU A 138 -8.884 7.127 11.185 1.00 33.33 H new ATOM 0 HA GLU A 138 -8.023 7.991 13.701 1.00 22.43 H new ATOM 0 HB2 GLU A 138 -9.587 5.685 12.565 1.00 63.34 H new ATOM 0 HB3 GLU A 138 -9.027 5.541 14.219 1.00 63.34 H new ATOM 0 HG2 GLU A 138 -10.669 7.885 13.195 1.00 71.44 H new ATOM 0 HG3 GLU A 138 -11.366 6.461 13.942 1.00 71.44 H new ATOM 2194 N GLU A 139 -6.545 5.239 12.542 1.00 51.51 N ATOM 2195 CA GLU A 139 -5.312 4.474 12.673 1.00 73.05 C ATOM 2196 C GLU A 139 -4.106 5.376 12.437 1.00 50.22 C ATOM 2197 O GLU A 139 -3.142 5.314 13.204 1.00 41.34 O ATOM 2198 CB GLU A 139 -5.272 3.281 11.716 1.00 31.40 C ATOM 2199 CG GLU A 139 -6.414 2.286 11.954 1.00 23.00 C ATOM 2200 CD GLU A 139 -5.993 0.864 11.569 1.00 61.13 C ATOM 2201 OE1 GLU A 139 -5.475 0.657 10.449 1.00 62.14 O ATOM 2202 OE2 GLU A 139 -6.109 -0.047 12.423 1.00 21.13 O ATOM 0 H GLU A 139 -7.160 4.941 11.784 1.00 51.51 H new ATOM 0 HA GLU A 139 -5.278 4.081 13.689 1.00 73.05 H new ATOM 0 HB2 GLU A 139 -5.321 3.644 10.689 1.00 31.40 H new ATOM 0 HB3 GLU A 139 -4.318 2.765 11.827 1.00 31.40 H new ATOM 0 HG2 GLU A 139 -6.709 2.310 13.003 1.00 23.00 H new ATOM 0 HG3 GLU A 139 -7.286 2.581 11.370 1.00 23.00 H new ATOM 2209 N ASN A 140 -4.176 6.232 11.407 1.00 71.05 N ATOM 2210 CA ASN A 140 -3.051 7.073 11.006 1.00 61.25 C ATOM 2211 C ASN A 140 -2.526 7.875 12.188 1.00 44.14 C ATOM 2212 O ASN A 140 -1.330 7.838 12.451 1.00 5.20 O ATOM 2213 CB ASN A 140 -3.382 8.068 9.878 1.00 44.23 C ATOM 2214 CG ASN A 140 -3.746 7.506 8.516 1.00 74.02 C ATOM 2215 OD1 ASN A 140 -3.571 6.229 8.257 1.00 63.13 O flip ATOM 2216 ND2 ASN A 140 -4.190 8.239 7.640 1.00 73.42 N flip ATOM 0 H ASN A 140 -5.011 6.357 10.835 1.00 71.05 H new ATOM 0 HA ASN A 140 -2.302 6.374 10.633 1.00 61.25 H new ATOM 0 HB2 ASN A 140 -4.211 8.691 10.215 1.00 44.23 H new ATOM 0 HB3 ASN A 140 -2.522 8.725 9.749 1.00 44.23 H new ATOM 0 HD21 ASN A 140 -4.330 9.232 7.828 1.00 73.42 H new ATOM 0 HD22 ASN A 140 -4.419 7.856 6.723 1.00 73.42 H new ATOM 2223 N LYS A 141 -3.392 8.612 12.894 1.00 70.23 N ATOM 2224 CA LYS A 141 -2.964 9.554 13.931 1.00 43.52 C ATOM 2225 C LYS A 141 -2.084 8.895 14.985 1.00 61.15 C ATOM 2226 O LYS A 141 -1.128 9.527 15.434 1.00 33.02 O ATOM 2227 CB LYS A 141 -4.159 10.253 14.596 1.00 43.42 C ATOM 2228 CG LYS A 141 -5.276 9.293 15.013 1.00 21.20 C ATOM 2229 CD LYS A 141 -6.444 9.903 15.780 1.00 74.44 C ATOM 2230 CE LYS A 141 -6.018 10.343 17.179 1.00 10.53 C ATOM 2231 NZ LYS A 141 -5.762 11.795 17.272 1.00 52.22 N ATOM 0 H LYS A 141 -4.403 8.572 12.763 1.00 70.23 H new ATOM 0 HA LYS A 141 -2.365 10.310 13.423 1.00 43.52 H new ATOM 0 HB2 LYS A 141 -3.809 10.794 15.475 1.00 43.42 H new ATOM 0 HB3 LYS A 141 -4.566 10.993 13.907 1.00 43.42 H new ATOM 0 HG2 LYS A 141 -5.669 8.816 14.115 1.00 21.20 H new ATOM 0 HG3 LYS A 141 -4.838 8.506 15.627 1.00 21.20 H new ATOM 0 HD2 LYS A 141 -6.836 10.759 15.230 1.00 74.44 H new ATOM 0 HD3 LYS A 141 -7.252 9.176 15.855 1.00 74.44 H new ATOM 0 HE2 LYS A 141 -6.795 10.070 17.893 1.00 10.53 H new ATOM 0 HE3 LYS A 141 -5.117 9.801 17.466 1.00 10.53 H new ATOM 0 HZ1 LYS A 141 -5.212 11.996 18.131 1.00 52.22 H new ATOM 0 HZ2 LYS A 141 -5.226 12.107 16.437 1.00 52.22 H new ATOM 0 HZ3 LYS A 141 -6.667 12.305 17.313 1.00 52.22 H new ATOM 2245 N ALA A 142 -2.405 7.665 15.390 1.00 42.43 N ATOM 2246 CA ALA A 142 -1.569 6.903 16.305 1.00 22.24 C ATOM 2247 C ALA A 142 -0.157 6.770 15.735 1.00 5.14 C ATOM 2248 O ALA A 142 0.794 7.191 16.386 1.00 22.31 O ATOM 2249 CB ALA A 142 -2.197 5.542 16.608 1.00 22.20 C ATOM 0 H ALA A 142 -3.249 7.175 15.092 1.00 42.43 H new ATOM 0 HA ALA A 142 -1.497 7.437 17.252 1.00 22.24 H new ATOM 0 HB1 ALA A 142 -1.555 4.990 17.294 1.00 22.20 H new ATOM 0 HB2 ALA A 142 -3.176 5.687 17.065 1.00 22.20 H new ATOM 0 HB3 ALA A 142 -2.308 4.978 15.682 1.00 22.20 H new ATOM 2255 N PHE A 143 -0.021 6.242 14.520 1.00 42.24 N ATOM 2256 CA PHE A 143 1.264 6.007 13.876 1.00 3.14 C ATOM 2257 C PHE A 143 2.148 7.263 13.892 1.00 73.44 C ATOM 2258 O PHE A 143 3.342 7.164 14.124 1.00 65.25 O ATOM 2259 CB PHE A 143 1.016 5.490 12.453 1.00 33.20 C ATOM 2260 CG PHE A 143 2.268 5.180 11.661 1.00 22.03 C ATOM 2261 CD1 PHE A 143 2.877 6.192 10.893 1.00 73.24 C ATOM 2262 CD2 PHE A 143 2.824 3.887 11.690 1.00 34.02 C ATOM 2263 CE1 PHE A 143 4.050 5.910 10.169 1.00 3.23 C ATOM 2264 CE2 PHE A 143 3.993 3.612 10.960 1.00 43.32 C ATOM 2265 CZ PHE A 143 4.613 4.622 10.203 1.00 34.02 C ATOM 0 H PHE A 143 -0.817 5.961 13.947 1.00 42.24 H new ATOM 0 HA PHE A 143 1.815 5.251 14.435 1.00 3.14 H new ATOM 0 HB2 PHE A 143 0.407 4.588 12.511 1.00 33.20 H new ATOM 0 HB3 PHE A 143 0.434 6.233 11.908 1.00 33.20 H new ATOM 0 HD1 PHE A 143 2.445 7.181 10.860 1.00 73.24 H new ATOM 0 HD2 PHE A 143 2.353 3.108 12.272 1.00 34.02 H new ATOM 0 HE1 PHE A 143 4.520 6.687 9.584 1.00 3.23 H new ATOM 0 HE2 PHE A 143 4.418 2.619 10.981 1.00 43.32 H new ATOM 0 HZ PHE A 143 5.517 4.410 9.651 1.00 34.02 H new ATOM 2275 N GLU A 144 1.602 8.456 13.664 1.00 23.14 N ATOM 2276 CA GLU A 144 2.389 9.699 13.479 1.00 44.33 C ATOM 2277 C GLU A 144 2.779 10.320 14.806 1.00 24.00 C ATOM 2278 O GLU A 144 3.827 10.954 14.956 1.00 41.21 O ATOM 2279 CB GLU A 144 1.616 10.769 12.696 1.00 73.42 C ATOM 2280 CG GLU A 144 0.720 10.105 11.674 1.00 25.24 C ATOM 2281 CD GLU A 144 0.319 11.004 10.514 1.00 72.01 C ATOM 2282 OE1 GLU A 144 0.076 12.218 10.745 1.00 71.31 O ATOM 2283 OE2 GLU A 144 0.188 10.534 9.369 1.00 64.04 O ATOM 0 H GLU A 144 0.594 8.601 13.600 1.00 23.14 H new ATOM 0 HA GLU A 144 3.274 9.393 12.921 1.00 44.33 H new ATOM 0 HB2 GLU A 144 1.019 11.373 13.379 1.00 73.42 H new ATOM 0 HB3 GLU A 144 2.313 11.444 12.199 1.00 73.42 H new ATOM 0 HG2 GLU A 144 1.229 9.226 11.278 1.00 25.24 H new ATOM 0 HG3 GLU A 144 -0.182 9.752 12.174 1.00 25.24 H new ATOM 2290 N GLU A 145 1.936 10.084 15.804 1.00 10.40 N ATOM 2291 CA GLU A 145 2.270 10.312 17.190 1.00 24.04 C ATOM 2292 C GLU A 145 3.445 9.404 17.585 1.00 70.41 C ATOM 2293 O GLU A 145 4.086 9.634 18.622 1.00 1.33 O ATOM 2294 CB GLU A 145 1.018 10.032 18.027 1.00 21.22 C ATOM 2295 CG GLU A 145 1.086 10.729 19.378 1.00 11.41 C ATOM 2296 CD GLU A 145 0.244 9.994 20.413 1.00 14.22 C ATOM 2297 OE1 GLU A 145 -1.012 10.035 20.344 1.00 25.13 O ATOM 2298 OE2 GLU A 145 0.856 9.343 21.292 1.00 51.13 O ATOM 0 H GLU A 145 0.992 9.725 15.664 1.00 10.40 H new ATOM 0 HA GLU A 145 2.584 11.341 17.363 1.00 24.04 H new ATOM 0 HB2 GLU A 145 0.134 10.369 17.486 1.00 21.22 H new ATOM 0 HB3 GLU A 145 0.910 8.958 18.175 1.00 21.22 H new ATOM 0 HG2 GLU A 145 2.122 10.778 19.714 1.00 11.41 H new ATOM 0 HG3 GLU A 145 0.734 11.756 19.280 1.00 11.41 H new ATOM 2305 N LEU A 146 3.763 8.400 16.743 1.00 73.11 N ATOM 2306 CA LEU A 146 4.785 7.399 17.074 1.00 1.32 C ATOM 2307 C LEU A 146 5.981 7.353 16.122 1.00 70.32 C ATOM 2308 O LEU A 146 7.036 6.836 16.502 1.00 3.34 O ATOM 2309 CB LEU A 146 4.143 6.003 17.230 1.00 63.05 C ATOM 2310 CG LEU A 146 3.605 5.598 18.623 1.00 52.53 C ATOM 2311 CD1 LEU A 146 4.355 6.240 19.788 1.00 41.42 C ATOM 2312 CD2 LEU A 146 2.119 5.893 18.824 1.00 52.13 C ATOM 0 H LEU A 146 3.325 8.265 15.832 1.00 73.11 H new ATOM 0 HA LEU A 146 5.206 7.721 18.027 1.00 1.32 H new ATOM 0 HB2 LEU A 146 3.318 5.935 16.521 1.00 63.05 H new ATOM 0 HB3 LEU A 146 4.883 5.261 16.930 1.00 63.05 H new ATOM 0 HG LEU A 146 3.769 4.520 18.630 1.00 52.53 H new ATOM 0 HD11 LEU A 146 3.919 5.907 20.730 1.00 41.42 H new ATOM 0 HD12 LEU A 146 5.404 5.947 19.751 1.00 41.42 H new ATOM 0 HD13 LEU A 146 4.278 7.325 19.716 1.00 41.42 H new ATOM 0 HD21 LEU A 146 1.818 5.581 19.824 1.00 52.13 H new ATOM 0 HD22 LEU A 146 1.942 6.962 18.709 1.00 52.13 H new ATOM 0 HD23 LEU A 146 1.536 5.347 18.083 1.00 52.13 H new ATOM 2324 N HIS A 147 5.860 7.919 14.932 1.00 43.24 N ATOM 2325 CA HIS A 147 6.842 7.814 13.863 1.00 2.33 C ATOM 2326 C HIS A 147 7.056 9.213 13.267 1.00 31.33 C ATOM 2327 O HIS A 147 6.488 9.536 12.221 1.00 72.04 O ATOM 2328 CB HIS A 147 6.422 6.706 12.885 1.00 73.22 C ATOM 2329 CG HIS A 147 6.476 5.332 13.511 1.00 25.02 C ATOM 2330 ND1 HIS A 147 7.623 4.655 13.867 1.00 22.23 N ATOM 2331 CD2 HIS A 147 5.411 4.573 13.912 1.00 61.32 C ATOM 2332 CE1 HIS A 147 7.256 3.501 14.446 1.00 10.31 C ATOM 2333 NE2 HIS A 147 5.917 3.418 14.521 1.00 4.30 N ATOM 0 H HIS A 147 5.050 8.482 14.675 1.00 43.24 H new ATOM 0 HA HIS A 147 7.823 7.496 14.215 1.00 2.33 H new ATOM 0 HB2 HIS A 147 5.409 6.902 12.532 1.00 73.22 H new ATOM 0 HB3 HIS A 147 7.074 6.730 12.012 1.00 73.22 H new ATOM 0 HD2 HIS A 147 4.368 4.820 13.782 1.00 61.32 H new ATOM 0 HE1 HIS A 147 7.941 2.745 14.802 1.00 10.31 H new ATOM 0 HE2 HIS A 147 5.375 2.662 14.940 1.00 4.30 H new ATOM 2341 N PRO A 148 7.831 10.069 13.960 1.00 51.14 N ATOM 2342 CA PRO A 148 8.007 11.472 13.614 1.00 10.50 C ATOM 2343 C PRO A 148 8.918 11.685 12.413 1.00 44.25 C ATOM 2344 O PRO A 148 10.080 11.227 12.404 1.00 32.30 O ATOM 2345 CB PRO A 148 8.595 12.124 14.870 1.00 51.44 C ATOM 2346 CG PRO A 148 9.335 10.992 15.573 1.00 45.22 C ATOM 2347 CD PRO A 148 8.454 9.794 15.250 1.00 23.31 C ATOM 0 HA PRO A 148 7.055 11.912 13.317 1.00 10.50 H new ATOM 0 HB2 PRO A 148 9.269 12.942 14.615 1.00 51.44 H new ATOM 0 HB3 PRO A 148 7.813 12.542 15.504 1.00 51.44 H new ATOM 0 HG2 PRO A 148 10.349 10.868 15.192 1.00 45.22 H new ATOM 0 HG3 PRO A 148 9.416 11.162 16.647 1.00 45.22 H new ATOM 0 HD2 PRO A 148 9.045 8.879 15.207 1.00 23.31 H new ATOM 0 HD3 PRO A 148 7.698 9.650 16.022 1.00 23.31 H new