USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 731 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 Single : A 1 MET CE :methyl 160:sc= -0.145 (180deg=-0.778) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.0654 (180deg=-0.0259) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 7 HIS : no HD1:sc= -0.569 X(o=-0.57,f=-0.082) USER MOD Single : A 8 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.18) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 14 SER OG : rot -13:sc= 0.883 USER MOD Single : A 16 HIS : no HD1:sc=-0.00842 X(o=-0.0084,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0738 X(o=-0.074,f=-0.54) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-2.8!) USER MOD Single : A 23 ASN : amide:sc= -2.77! C(o=-2.8!,f=-7.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -38:sc= 0.687 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 35:sc= 0.249 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl -157:sc= -0.157 (180deg=-0.885) USER MOD Single : A 38 SER OG : rot 180:sc= 0.00638 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 0.859 (180deg=0.536) USER MOD Single : A 45 LYS NZ :NH3+ 137:sc= 0.371 (180deg=0.027) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.16) USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.131) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0837 USER MOD Single : A 55 ASN : amide:sc=-0.00883 X(o=-0.0088,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0234 USER MOD Single : A 57 MET CE :methyl 157:sc= -0.271 (180deg=-1.08) USER MOD Single : A 62 TYR OH : rot 40:sc= 1.27 USER MOD Single : A 65 SER OG : rot -160:sc= -3.02! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -38:sc= 0.226 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.133 8.004 -10.734 1.00 35.54 N ATOM 2 CA MET A 1 17.590 7.873 -12.103 1.00 65.21 C ATOM 3 C MET A 1 16.340 7.008 -12.096 1.00 62.44 C ATOM 4 O MET A 1 16.131 6.202 -11.185 1.00 41.43 O ATOM 5 CB MET A 1 18.628 7.256 -13.044 1.00 73.30 C ATOM 6 CG MET A 1 19.832 8.145 -13.307 1.00 44.11 C ATOM 7 SD MET A 1 21.011 7.400 -14.453 1.00 65.14 S ATOM 8 CE MET A 1 19.996 7.211 -15.916 1.00 53.30 C ATOM 0 H1 MET A 1 18.099 9.001 -10.441 1.00 35.54 H new ATOM 0 H2 MET A 1 17.564 7.431 -10.079 1.00 35.54 H new ATOM 0 H3 MET A 1 19.119 7.672 -10.718 1.00 35.54 H new ATOM 0 HA MET A 1 17.338 8.872 -12.460 1.00 65.21 H new ATOM 0 HB2 MET A 1 18.972 6.313 -12.620 1.00 73.30 H new ATOM 0 HB3 MET A 1 18.148 7.022 -13.994 1.00 73.30 H new ATOM 0 HG2 MET A 1 19.493 9.099 -13.710 1.00 44.11 H new ATOM 0 HG3 MET A 1 20.334 8.358 -12.363 1.00 44.11 H new ATOM 0 HE1 MET A 1 20.636 7.106 -16.792 1.00 53.30 H new ATOM 0 HE2 MET A 1 19.373 6.323 -15.814 1.00 53.30 H new ATOM 0 HE3 MET A 1 19.360 8.089 -16.034 1.00 53.30 H new ATOM 20 N GLY A 2 15.514 7.176 -13.116 1.00 33.21 N ATOM 21 CA GLY A 2 14.328 6.363 -13.260 1.00 73.04 C ATOM 22 C GLY A 2 14.515 5.302 -14.317 1.00 20.30 C ATOM 23 O GLY A 2 15.623 4.787 -14.487 1.00 70.14 O ATOM 0 H GLY A 2 15.647 7.868 -13.853 1.00 33.21 H new ATOM 0 HA2 GLY A 2 14.090 5.891 -12.307 1.00 73.04 H new ATOM 0 HA3 GLY A 2 13.480 6.996 -13.523 1.00 73.04 H new ATOM 27 N HIS A 3 13.443 4.989 -15.035 1.00 64.33 N ATOM 28 CA HIS A 3 13.477 3.985 -16.097 1.00 34.02 C ATOM 29 C HIS A 3 13.935 2.627 -15.573 1.00 41.41 C ATOM 30 O HIS A 3 15.046 2.177 -15.859 1.00 52.14 O ATOM 31 CB HIS A 3 14.378 4.428 -17.257 1.00 65.11 C ATOM 32 CG HIS A 3 13.804 5.544 -18.071 1.00 72.22 C ATOM 33 ND1 HIS A 3 13.110 5.336 -19.242 1.00 43.23 N ATOM 34 CD2 HIS A 3 13.824 6.885 -17.880 1.00 70.33 C ATOM 35 CE1 HIS A 3 12.727 6.493 -19.735 1.00 64.33 C ATOM 36 NE2 HIS A 3 13.146 7.450 -18.929 1.00 72.14 N ATOM 0 H HIS A 3 12.529 5.420 -14.900 1.00 64.33 H new ATOM 0 HA HIS A 3 12.457 3.884 -16.467 1.00 34.02 H new ATOM 0 HB2 HIS A 3 15.343 4.740 -16.857 1.00 65.11 H new ATOM 0 HB3 HIS A 3 14.564 3.574 -17.908 1.00 65.11 H new ATOM 0 HD2 HIS A 3 14.287 7.410 -17.057 1.00 70.33 H new ATOM 0 HE1 HIS A 3 12.164 6.636 -20.646 1.00 64.33 H new ATOM 0 HE2 HIS A 3 12.991 8.449 -19.065 1.00 72.14 H new ATOM 45 N HIS A 4 13.083 1.991 -14.787 1.00 50.13 N ATOM 46 CA HIS A 4 13.360 0.656 -14.269 1.00 31.15 C ATOM 47 C HIS A 4 12.106 -0.198 -14.366 1.00 23.34 C ATOM 48 O HIS A 4 11.923 -1.153 -13.607 1.00 50.02 O ATOM 49 CB HIS A 4 13.831 0.720 -12.814 1.00 35.11 C ATOM 50 CG HIS A 4 15.191 1.328 -12.640 1.00 74.34 C ATOM 51 ND1 HIS A 4 15.401 2.545 -12.032 1.00 61.31 N ATOM 52 CD2 HIS A 4 16.419 0.870 -12.990 1.00 73.32 C ATOM 53 CE1 HIS A 4 16.693 2.812 -12.015 1.00 51.42 C ATOM 54 NE2 HIS A 4 17.333 1.813 -12.591 1.00 4.22 N ATOM 0 H HIS A 4 12.187 2.378 -14.490 1.00 50.13 H new ATOM 0 HA HIS A 4 14.155 0.211 -14.867 1.00 31.15 H new ATOM 0 HB2 HIS A 4 13.110 1.296 -12.234 1.00 35.11 H new ATOM 0 HB3 HIS A 4 13.839 -0.289 -12.401 1.00 35.11 H new ATOM 0 HD2 HIS A 4 16.637 -0.063 -13.489 1.00 73.32 H new ATOM 0 HE1 HIS A 4 17.149 3.698 -11.600 1.00 51.42 H new ATOM 0 HE2 HIS A 4 18.343 1.751 -12.719 1.00 4.22 H new ATOM 63 N HIS A 5 11.259 0.142 -15.325 1.00 0.30 N ATOM 64 CA HIS A 5 9.969 -0.509 -15.476 1.00 0.42 C ATOM 65 C HIS A 5 10.114 -1.848 -16.195 1.00 61.50 C ATOM 66 O HIS A 5 9.870 -1.955 -17.396 1.00 52.11 O ATOM 67 CB HIS A 5 9.002 0.410 -16.232 1.00 5.22 C ATOM 68 CG HIS A 5 7.590 -0.097 -16.294 1.00 70.04 C ATOM 69 ND1 HIS A 5 6.975 -0.481 -17.468 1.00 31.11 N ATOM 70 CD2 HIS A 5 6.665 -0.256 -15.320 1.00 53.14 C ATOM 71 CE1 HIS A 5 5.733 -0.855 -17.212 1.00 63.25 C ATOM 72 NE2 HIS A 5 5.521 -0.727 -15.916 1.00 62.45 N ATOM 0 H HIS A 5 11.445 0.870 -16.014 1.00 0.30 H new ATOM 0 HA HIS A 5 9.563 -0.706 -14.484 1.00 0.42 H new ATOM 0 HB2 HIS A 5 9.003 1.390 -15.755 1.00 5.22 H new ATOM 0 HB3 HIS A 5 9.371 0.549 -17.248 1.00 5.22 H new ATOM 0 HD2 HIS A 5 6.801 -0.051 -14.268 1.00 53.14 H new ATOM 0 HE1 HIS A 5 5.015 -1.205 -17.939 1.00 63.25 H new ATOM 0 HE2 HIS A 5 4.648 -0.943 -15.434 1.00 62.45 H new ATOM 81 N HIS A 6 10.545 -2.860 -15.461 1.00 54.32 N ATOM 82 CA HIS A 6 10.627 -4.211 -15.996 1.00 74.44 C ATOM 83 C HIS A 6 10.038 -5.201 -15.005 1.00 32.34 C ATOM 84 O HIS A 6 10.152 -5.022 -13.791 1.00 1.51 O ATOM 85 CB HIS A 6 12.072 -4.591 -16.367 1.00 62.50 C ATOM 86 CG HIS A 6 13.094 -4.344 -15.295 1.00 53.22 C ATOM 87 ND1 HIS A 6 14.058 -3.372 -15.405 1.00 41.04 N ATOM 88 CD2 HIS A 6 13.315 -4.958 -14.109 1.00 61.33 C ATOM 89 CE1 HIS A 6 14.832 -3.394 -14.339 1.00 54.42 C ATOM 90 NE2 HIS A 6 14.400 -4.346 -13.535 1.00 14.13 N ATOM 0 H HIS A 6 10.845 -2.772 -14.490 1.00 54.32 H new ATOM 0 HA HIS A 6 10.043 -4.246 -16.916 1.00 74.44 H new ATOM 0 HB2 HIS A 6 12.096 -5.648 -16.633 1.00 62.50 H new ATOM 0 HB3 HIS A 6 12.360 -4.032 -17.257 1.00 62.50 H new ATOM 0 HD2 HIS A 6 12.745 -5.775 -13.693 1.00 61.33 H new ATOM 0 HE1 HIS A 6 15.675 -2.744 -14.155 1.00 54.42 H new ATOM 0 HE2 HIS A 6 14.807 -4.588 -12.632 1.00 14.13 H new ATOM 99 N HIS A 7 9.397 -6.231 -15.528 1.00 21.43 N ATOM 100 CA HIS A 7 8.723 -7.215 -14.699 1.00 30.43 C ATOM 101 C HIS A 7 8.744 -8.571 -15.391 1.00 45.13 C ATOM 102 O HIS A 7 8.022 -8.784 -16.364 1.00 73.41 O ATOM 103 CB HIS A 7 7.270 -6.771 -14.439 1.00 1.12 C ATOM 104 CG HIS A 7 6.488 -7.657 -13.503 1.00 34.03 C ATOM 105 ND1 HIS A 7 5.853 -7.183 -12.376 1.00 44.12 N ATOM 106 CD2 HIS A 7 6.215 -8.987 -13.549 1.00 44.15 C ATOM 107 CE1 HIS A 7 5.231 -8.178 -11.770 1.00 42.41 C ATOM 108 NE2 HIS A 7 5.434 -9.282 -12.461 1.00 73.32 N ATOM 0 H HIS A 7 9.329 -6.408 -16.530 1.00 21.43 H new ATOM 0 HA HIS A 7 9.241 -7.298 -13.744 1.00 30.43 H new ATOM 0 HB2 HIS A 7 7.283 -5.760 -14.032 1.00 1.12 H new ATOM 0 HB3 HIS A 7 6.745 -6.723 -15.393 1.00 1.12 H new ATOM 0 HD2 HIS A 7 6.551 -9.683 -14.303 1.00 44.15 H new ATOM 0 HE1 HIS A 7 4.653 -8.100 -10.861 1.00 42.41 H new ATOM 0 HE2 HIS A 7 5.070 -10.205 -12.225 1.00 73.32 H new ATOM 117 N HIS A 8 9.577 -9.477 -14.904 1.00 13.34 N ATOM 118 CA HIS A 8 9.591 -10.837 -15.423 1.00 54.31 C ATOM 119 C HIS A 8 9.407 -11.823 -14.274 1.00 11.03 C ATOM 120 O HIS A 8 10.186 -11.841 -13.321 1.00 13.20 O ATOM 121 CB HIS A 8 10.885 -11.131 -16.217 1.00 31.32 C ATOM 122 CG HIS A 8 12.119 -11.387 -15.394 1.00 3.21 C ATOM 123 ND1 HIS A 8 12.934 -10.386 -14.917 1.00 2.54 N ATOM 124 CD2 HIS A 8 12.674 -12.550 -14.971 1.00 11.03 C ATOM 125 CE1 HIS A 8 13.936 -10.918 -14.239 1.00 71.34 C ATOM 126 NE2 HIS A 8 13.799 -12.231 -14.254 1.00 1.31 N ATOM 0 H HIS A 8 10.247 -9.299 -14.156 1.00 13.34 H new ATOM 0 HA HIS A 8 8.763 -10.951 -16.122 1.00 54.31 H new ATOM 0 HB2 HIS A 8 10.709 -11.999 -16.852 1.00 31.32 H new ATOM 0 HB3 HIS A 8 11.082 -10.287 -16.878 1.00 31.32 H new ATOM 0 HD2 HIS A 8 12.299 -13.544 -15.163 1.00 11.03 H new ATOM 0 HE1 HIS A 8 14.732 -10.371 -13.755 1.00 71.34 H new ATOM 0 HE2 HIS A 8 14.427 -12.899 -13.806 1.00 1.31 H new ATOM 135 N SER A 9 8.343 -12.600 -14.337 1.00 72.00 N ATOM 136 CA SER A 9 8.080 -13.613 -13.337 1.00 35.54 C ATOM 137 C SER A 9 7.354 -14.784 -13.975 1.00 61.11 C ATOM 138 O SER A 9 6.344 -14.602 -14.660 1.00 52.03 O ATOM 139 CB SER A 9 7.247 -13.024 -12.193 1.00 5.45 C ATOM 140 OG SER A 9 7.107 -13.944 -11.123 1.00 45.40 O ATOM 0 H SER A 9 7.643 -12.547 -15.077 1.00 72.00 H new ATOM 0 HA SER A 9 9.026 -13.965 -12.926 1.00 35.54 H new ATOM 0 HB2 SER A 9 7.720 -12.112 -11.830 1.00 5.45 H new ATOM 0 HB3 SER A 9 6.261 -12.745 -12.566 1.00 5.45 H new ATOM 0 HG SER A 9 6.572 -13.537 -10.410 1.00 45.40 H new ATOM 146 N HIS A 10 7.876 -15.980 -13.777 1.00 1.34 N ATOM 147 CA HIS A 10 7.255 -17.169 -14.327 1.00 25.44 C ATOM 148 C HIS A 10 6.093 -17.601 -13.441 1.00 3.43 C ATOM 149 O HIS A 10 6.204 -18.539 -12.653 1.00 33.22 O ATOM 150 CB HIS A 10 8.278 -18.296 -14.472 1.00 61.23 C ATOM 151 CG HIS A 10 7.790 -19.435 -15.308 1.00 32.32 C ATOM 152 ND1 HIS A 10 7.576 -20.698 -14.808 1.00 42.31 N ATOM 153 CD2 HIS A 10 7.474 -19.494 -16.623 1.00 33.33 C ATOM 154 CE1 HIS A 10 7.149 -21.486 -15.776 1.00 63.44 C ATOM 155 NE2 HIS A 10 7.078 -20.780 -16.888 1.00 30.14 N ATOM 0 H HIS A 10 8.726 -16.153 -13.241 1.00 1.34 H new ATOM 0 HA HIS A 10 6.871 -16.939 -15.321 1.00 25.44 H new ATOM 0 HB2 HIS A 10 9.190 -17.895 -14.914 1.00 61.23 H new ATOM 0 HB3 HIS A 10 8.541 -18.668 -13.482 1.00 61.23 H new ATOM 0 HD2 HIS A 10 7.524 -18.680 -17.331 1.00 33.33 H new ATOM 0 HE1 HIS A 10 6.900 -22.532 -15.675 1.00 63.44 H new ATOM 0 HE2 HIS A 10 6.778 -21.133 -17.797 1.00 30.14 H new ATOM 164 N GLY A 11 4.991 -16.878 -13.557 1.00 62.23 N ATOM 165 CA GLY A 11 3.829 -17.136 -12.740 1.00 64.41 C ATOM 166 C GLY A 11 3.149 -15.850 -12.329 1.00 12.01 C ATOM 167 O GLY A 11 3.192 -14.860 -13.065 1.00 41.11 O ATOM 0 H GLY A 11 4.882 -16.105 -14.214 1.00 62.23 H new ATOM 0 HA2 GLY A 11 3.126 -17.761 -13.291 1.00 64.41 H new ATOM 0 HA3 GLY A 11 4.124 -17.694 -11.851 1.00 64.41 H new ATOM 171 N ASP A 12 2.539 -15.848 -11.155 1.00 13.12 N ATOM 172 CA ASP A 12 1.846 -14.667 -10.655 1.00 64.30 C ATOM 173 C ASP A 12 1.995 -14.560 -9.145 1.00 21.51 C ATOM 174 O ASP A 12 1.904 -15.563 -8.434 1.00 12.04 O ATOM 175 CB ASP A 12 0.356 -14.701 -11.033 1.00 31.04 C ATOM 176 CG ASP A 12 -0.427 -15.765 -10.277 1.00 51.15 C ATOM 177 OD1 ASP A 12 -0.364 -16.953 -10.665 1.00 31.20 O ATOM 178 OD2 ASP A 12 -1.113 -15.419 -9.289 1.00 32.25 O ATOM 0 H ASP A 12 2.508 -16.652 -10.528 1.00 13.12 H new ATOM 0 HA ASP A 12 2.301 -13.792 -11.119 1.00 64.30 H new ATOM 0 HB2 ASP A 12 -0.085 -13.724 -10.835 1.00 31.04 H new ATOM 0 HB3 ASP A 12 0.263 -14.882 -12.104 1.00 31.04 H new ATOM 183 N ASP A 13 2.248 -13.349 -8.663 1.00 60.32 N ATOM 184 CA ASP A 13 2.349 -13.092 -7.231 1.00 75.41 C ATOM 185 C ASP A 13 2.275 -11.595 -6.955 1.00 73.11 C ATOM 186 O ASP A 13 3.257 -10.873 -7.113 1.00 14.54 O ATOM 187 CB ASP A 13 3.648 -13.666 -6.655 1.00 31.45 C ATOM 188 CG ASP A 13 3.702 -13.555 -5.143 1.00 4.00 C ATOM 189 OD1 ASP A 13 2.994 -14.332 -4.461 1.00 53.34 O ATOM 190 OD2 ASP A 13 4.448 -12.702 -4.623 1.00 35.11 O ATOM 0 H ASP A 13 2.388 -12.525 -9.247 1.00 60.32 H new ATOM 0 HA ASP A 13 1.510 -13.588 -6.743 1.00 75.41 H new ATOM 0 HB2 ASP A 13 3.741 -14.713 -6.944 1.00 31.45 H new ATOM 0 HB3 ASP A 13 4.499 -13.139 -7.087 1.00 31.45 H new ATOM 195 N SER A 14 1.093 -11.134 -6.577 1.00 0.20 N ATOM 196 CA SER A 14 0.864 -9.728 -6.269 1.00 72.44 C ATOM 197 C SER A 14 -0.390 -9.580 -5.419 1.00 53.41 C ATOM 198 O SER A 14 -1.381 -10.284 -5.635 1.00 42.52 O ATOM 199 CB SER A 14 0.715 -8.904 -7.558 1.00 75.15 C ATOM 200 OG SER A 14 1.890 -8.966 -8.347 1.00 52.24 O ATOM 0 H SER A 14 0.266 -11.722 -6.475 1.00 0.20 H new ATOM 0 HA SER A 14 1.725 -9.354 -5.715 1.00 72.44 H new ATOM 0 HB2 SER A 14 -0.132 -9.276 -8.134 1.00 75.15 H new ATOM 0 HB3 SER A 14 0.498 -7.866 -7.306 1.00 75.15 H new ATOM 0 HG SER A 14 2.620 -9.348 -7.817 1.00 52.24 H new ATOM 206 N VAL A 15 -0.346 -8.676 -4.452 1.00 10.03 N ATOM 207 CA VAL A 15 -1.501 -8.414 -3.609 1.00 21.24 C ATOM 208 C VAL A 15 -2.146 -7.093 -3.994 1.00 2.30 C ATOM 209 O VAL A 15 -1.482 -6.196 -4.518 1.00 71.02 O ATOM 210 CB VAL A 15 -1.140 -8.389 -2.106 1.00 75.32 C ATOM 211 CG1 VAL A 15 -0.592 -9.738 -1.661 1.00 0.31 C ATOM 212 CG2 VAL A 15 -0.150 -7.271 -1.798 1.00 4.32 C ATOM 0 H VAL A 15 0.476 -8.113 -4.232 1.00 10.03 H new ATOM 0 HA VAL A 15 -2.202 -9.233 -3.770 1.00 21.24 H new ATOM 0 HB VAL A 15 -2.052 -8.190 -1.544 1.00 75.32 H new ATOM 0 HG11 VAL A 15 -0.344 -9.698 -0.600 1.00 0.31 H new ATOM 0 HG12 VAL A 15 -1.343 -10.509 -1.830 1.00 0.31 H new ATOM 0 HG13 VAL A 15 0.305 -9.973 -2.234 1.00 0.31 H new ATOM 0 HG21 VAL A 15 0.086 -7.277 -0.734 1.00 4.32 H new ATOM 0 HG22 VAL A 15 0.763 -7.425 -2.373 1.00 4.32 H new ATOM 0 HG23 VAL A 15 -0.590 -6.311 -2.067 1.00 4.32 H new ATOM 222 N HIS A 16 -3.442 -6.984 -3.755 1.00 35.11 N ATOM 223 CA HIS A 16 -4.167 -5.764 -4.064 1.00 52.34 C ATOM 224 C HIS A 16 -4.186 -4.844 -2.856 1.00 20.51 C ATOM 225 O HIS A 16 -5.043 -4.972 -1.977 1.00 44.14 O ATOM 226 CB HIS A 16 -5.599 -6.075 -4.505 1.00 43.22 C ATOM 227 CG HIS A 16 -5.679 -6.931 -5.728 1.00 3.44 C ATOM 228 ND1 HIS A 16 -5.881 -8.292 -5.679 1.00 5.41 N ATOM 229 CD2 HIS A 16 -5.583 -6.615 -7.041 1.00 2.33 C ATOM 230 CE1 HIS A 16 -5.908 -8.776 -6.904 1.00 34.30 C ATOM 231 NE2 HIS A 16 -5.731 -7.780 -7.752 1.00 32.31 N ATOM 0 H HIS A 16 -4.013 -7.725 -3.348 1.00 35.11 H new ATOM 0 HA HIS A 16 -3.654 -5.265 -4.886 1.00 52.34 H new ATOM 0 HB2 HIS A 16 -6.121 -6.574 -3.688 1.00 43.22 H new ATOM 0 HB3 HIS A 16 -6.123 -5.138 -4.693 1.00 43.22 H new ATOM 0 HD2 HIS A 16 -5.420 -5.630 -7.452 1.00 2.33 H new ATOM 0 HE1 HIS A 16 -6.051 -9.813 -7.170 1.00 34.30 H new ATOM 0 HE2 HIS A 16 -5.708 -7.862 -8.768 1.00 32.31 H new ATOM 240 N LEU A 17 -3.227 -3.937 -2.799 1.00 12.14 N ATOM 241 CA LEU A 17 -3.162 -2.977 -1.714 1.00 52.31 C ATOM 242 C LEU A 17 -4.231 -1.918 -1.907 1.00 53.31 C ATOM 243 O LEU A 17 -4.112 -1.054 -2.777 1.00 72.53 O ATOM 244 CB LEU A 17 -1.779 -2.329 -1.635 1.00 72.54 C ATOM 245 CG LEU A 17 -0.639 -3.271 -1.237 1.00 22.25 C ATOM 246 CD1 LEU A 17 0.683 -2.521 -1.209 1.00 23.21 C ATOM 247 CD2 LEU A 17 -0.925 -3.916 0.114 1.00 33.34 C ATOM 0 H LEU A 17 -2.483 -3.846 -3.491 1.00 12.14 H new ATOM 0 HA LEU A 17 -3.339 -3.501 -0.775 1.00 52.31 H new ATOM 0 HB2 LEU A 17 -1.545 -1.891 -2.605 1.00 72.54 H new ATOM 0 HB3 LEU A 17 -1.820 -1.510 -0.917 1.00 72.54 H new ATOM 0 HG LEU A 17 -0.567 -4.063 -1.982 1.00 22.25 H new ATOM 0 HD11 LEU A 17 1.483 -3.204 -0.924 1.00 23.21 H new ATOM 0 HD12 LEU A 17 0.890 -2.112 -2.198 1.00 23.21 H new ATOM 0 HD13 LEU A 17 0.625 -1.709 -0.485 1.00 23.21 H new ATOM 0 HD21 LEU A 17 -0.104 -4.582 0.380 1.00 33.34 H new ATOM 0 HD22 LEU A 17 -1.024 -3.141 0.874 1.00 33.34 H new ATOM 0 HD23 LEU A 17 -1.851 -4.487 0.056 1.00 33.34 H new ATOM 259 N HIS A 18 -5.289 -2.009 -1.117 1.00 25.33 N ATOM 260 CA HIS A 18 -6.399 -1.076 -1.225 1.00 74.21 C ATOM 261 C HIS A 18 -5.995 0.285 -0.685 1.00 65.31 C ATOM 262 O HIS A 18 -5.934 0.493 0.529 1.00 43.43 O ATOM 263 CB HIS A 18 -7.630 -1.599 -0.474 1.00 34.10 C ATOM 264 CG HIS A 18 -8.205 -2.856 -1.056 1.00 30.43 C ATOM 265 ND1 HIS A 18 -9.011 -2.866 -2.171 1.00 52.34 N ATOM 266 CD2 HIS A 18 -8.097 -4.149 -0.664 1.00 30.51 C ATOM 267 CE1 HIS A 18 -9.372 -4.104 -2.442 1.00 43.45 C ATOM 268 NE2 HIS A 18 -8.833 -4.906 -1.543 1.00 73.01 N ATOM 0 H HIS A 18 -5.402 -2.719 -0.394 1.00 25.33 H new ATOM 0 HA HIS A 18 -6.659 -0.977 -2.279 1.00 74.21 H new ATOM 0 HB2 HIS A 18 -7.359 -1.782 0.566 1.00 34.10 H new ATOM 0 HB3 HIS A 18 -8.398 -0.826 -0.472 1.00 34.10 H new ATOM 0 HD2 HIS A 18 -7.536 -4.516 0.183 1.00 30.51 H new ATOM 0 HE1 HIS A 18 -10.003 -4.411 -3.263 1.00 43.45 H new ATOM 0 HE2 HIS A 18 -8.944 -5.919 -1.507 1.00 73.01 H new ATOM 277 N ILE A 19 -5.690 1.199 -1.589 1.00 65.14 N ATOM 278 CA ILE A 19 -5.263 2.530 -1.205 1.00 63.15 C ATOM 279 C ILE A 19 -6.468 3.436 -1.010 1.00 72.20 C ATOM 280 O ILE A 19 -7.252 3.654 -1.932 1.00 34.11 O ATOM 281 CB ILE A 19 -4.314 3.149 -2.256 1.00 73.11 C ATOM 282 CG1 ILE A 19 -3.096 2.240 -2.464 1.00 72.14 C ATOM 283 CG2 ILE A 19 -3.876 4.544 -1.825 1.00 22.25 C ATOM 284 CD1 ILE A 19 -2.121 2.751 -3.505 1.00 3.22 C ATOM 0 H ILE A 19 -5.731 1.042 -2.596 1.00 65.14 H new ATOM 0 HA ILE A 19 -4.718 2.440 -0.265 1.00 63.15 H new ATOM 0 HB ILE A 19 -4.848 3.238 -3.202 1.00 73.11 H new ATOM 0 HG12 ILE A 19 -2.573 2.127 -1.515 1.00 72.14 H new ATOM 0 HG13 ILE A 19 -3.440 1.249 -2.758 1.00 72.14 H new ATOM 0 HG21 ILE A 19 -3.208 4.964 -2.577 1.00 22.25 H new ATOM 0 HG22 ILE A 19 -4.752 5.184 -1.719 1.00 22.25 H new ATOM 0 HG23 ILE A 19 -3.354 4.483 -0.870 1.00 22.25 H new ATOM 0 HD11 ILE A 19 -1.287 2.055 -3.595 1.00 3.22 H new ATOM 0 HD12 ILE A 19 -2.627 2.837 -4.466 1.00 3.22 H new ATOM 0 HD13 ILE A 19 -1.746 3.729 -3.203 1.00 3.22 H new ATOM 296 N THR A 20 -6.628 3.935 0.201 1.00 32.44 N ATOM 297 CA THR A 20 -7.711 4.840 0.514 1.00 10.12 C ATOM 298 C THR A 20 -7.150 6.163 1.029 1.00 10.11 C ATOM 299 O THR A 20 -6.766 6.275 2.194 1.00 4.45 O ATOM 300 CB THR A 20 -8.654 4.224 1.569 1.00 34.44 C ATOM 301 OG1 THR A 20 -8.901 2.849 1.245 1.00 32.55 O ATOM 302 CG2 THR A 20 -9.972 4.980 1.625 1.00 64.40 C ATOM 0 H THR A 20 -6.015 3.725 0.988 1.00 32.44 H new ATOM 0 HA THR A 20 -8.283 5.019 -0.396 1.00 10.12 H new ATOM 0 HB THR A 20 -8.175 4.294 2.546 1.00 34.44 H new ATOM 0 HG1 THR A 20 -9.498 2.457 1.916 1.00 32.55 H new ATOM 0 HG21 THR A 20 -10.620 4.527 2.376 1.00 64.40 H new ATOM 0 HG22 THR A 20 -9.784 6.021 1.889 1.00 64.40 H new ATOM 0 HG23 THR A 20 -10.459 4.935 0.651 1.00 64.40 H new ATOM 310 N HIS A 21 -7.064 7.151 0.149 1.00 10.40 N ATOM 311 CA HIS A 21 -6.517 8.451 0.515 1.00 2.22 C ATOM 312 C HIS A 21 -7.552 9.234 1.316 1.00 12.45 C ATOM 313 O HIS A 21 -8.664 9.430 0.854 1.00 32.14 O ATOM 314 CB HIS A 21 -6.110 9.225 -0.747 1.00 12.31 C ATOM 315 CG HIS A 21 -5.152 10.347 -0.487 1.00 25.21 C ATOM 316 ND1 HIS A 21 -5.019 11.434 -1.319 1.00 44.51 N ATOM 317 CD2 HIS A 21 -4.249 10.524 0.504 1.00 51.13 C ATOM 318 CE1 HIS A 21 -4.075 12.229 -0.849 1.00 23.34 C ATOM 319 NE2 HIS A 21 -3.590 11.700 0.258 1.00 60.13 N ATOM 0 H HIS A 21 -7.366 7.078 -0.823 1.00 10.40 H new ATOM 0 HA HIS A 21 -5.629 8.310 1.132 1.00 2.22 H new ATOM 0 HB2 HIS A 21 -5.659 8.532 -1.457 1.00 12.31 H new ATOM 0 HB3 HIS A 21 -7.006 9.627 -1.220 1.00 12.31 H new ATOM 0 HD1 HIS A 21 -5.563 11.600 -2.165 1.00 44.51 H new ATOM 0 HD2 HIS A 21 -4.078 9.859 1.338 1.00 51.13 H new ATOM 0 HE1 HIS A 21 -3.753 13.158 -1.296 1.00 23.34 H new ATOM 328 N ALA A 22 -7.181 9.666 2.517 1.00 41.54 N ATOM 329 CA ALA A 22 -8.108 10.364 3.409 1.00 1.23 C ATOM 330 C ALA A 22 -8.707 11.608 2.754 1.00 74.12 C ATOM 331 O ALA A 22 -9.878 11.920 2.955 1.00 62.11 O ATOM 332 CB ALA A 22 -7.403 10.740 4.699 1.00 33.44 C ATOM 0 H ALA A 22 -6.243 9.546 2.898 1.00 41.54 H new ATOM 0 HA ALA A 22 -8.930 9.683 3.628 1.00 1.23 H new ATOM 0 HB1 ALA A 22 -8.100 11.259 5.357 1.00 33.44 H new ATOM 0 HB2 ALA A 22 -7.042 9.838 5.192 1.00 33.44 H new ATOM 0 HB3 ALA A 22 -6.560 11.394 4.476 1.00 33.44 H new ATOM 338 N ASN A 23 -7.889 12.307 1.973 1.00 11.14 N ATOM 339 CA ASN A 23 -8.325 13.511 1.264 1.00 11.25 C ATOM 340 C ASN A 23 -9.470 13.197 0.316 1.00 25.14 C ATOM 341 O ASN A 23 -10.357 14.018 0.097 1.00 3.35 O ATOM 342 CB ASN A 23 -7.166 14.110 0.463 1.00 54.11 C ATOM 343 CG ASN A 23 -6.037 14.612 1.337 1.00 53.10 C ATOM 344 OD1 ASN A 23 -5.805 14.099 2.432 1.00 43.02 O ATOM 345 ND2 ASN A 23 -5.317 15.603 0.850 1.00 53.33 N ATOM 0 H ASN A 23 -6.912 12.060 1.813 1.00 11.14 H new ATOM 0 HA ASN A 23 -8.664 14.229 2.010 1.00 11.25 H new ATOM 0 HB2 ASN A 23 -6.779 13.357 -0.223 1.00 54.11 H new ATOM 0 HB3 ASN A 23 -7.540 14.933 -0.146 1.00 54.11 H new ATOM 0 HD21 ASN A 23 -4.532 15.974 1.385 1.00 53.33 H new ATOM 0 HD22 ASN A 23 -5.545 15.998 -0.062 1.00 53.33 H new ATOM 352 N LEU A 24 -9.442 11.999 -0.245 1.00 2.51 N ATOM 353 CA LEU A 24 -10.455 11.565 -1.191 1.00 12.42 C ATOM 354 C LEU A 24 -11.027 10.233 -0.738 1.00 21.15 C ATOM 355 O LEU A 24 -10.567 9.177 -1.159 1.00 31.20 O ATOM 356 CB LEU A 24 -9.861 11.432 -2.599 1.00 2.04 C ATOM 357 CG LEU A 24 -9.215 12.700 -3.160 1.00 50.44 C ATOM 358 CD1 LEU A 24 -8.498 12.398 -4.464 1.00 14.41 C ATOM 359 CD2 LEU A 24 -10.257 13.784 -3.370 1.00 14.24 C ATOM 0 H LEU A 24 -8.720 11.303 -0.058 1.00 2.51 H new ATOM 0 HA LEU A 24 -11.249 12.311 -1.227 1.00 12.42 H new ATOM 0 HB2 LEU A 24 -9.114 10.639 -2.586 1.00 2.04 H new ATOM 0 HB3 LEU A 24 -10.651 11.115 -3.280 1.00 2.04 H new ATOM 0 HG LEU A 24 -8.484 13.060 -2.436 1.00 50.44 H new ATOM 0 HD11 LEU A 24 -8.044 13.311 -4.850 1.00 14.41 H new ATOM 0 HD12 LEU A 24 -7.722 11.653 -4.288 1.00 14.41 H new ATOM 0 HD13 LEU A 24 -9.213 12.013 -5.191 1.00 14.41 H new ATOM 0 HD21 LEU A 24 -9.777 14.677 -3.769 1.00 14.24 H new ATOM 0 HD22 LEU A 24 -11.012 13.432 -4.074 1.00 14.24 H new ATOM 0 HD23 LEU A 24 -10.732 14.022 -2.418 1.00 14.24 H new ATOM 371 N LYS A 25 -12.027 10.290 0.127 1.00 3.41 N ATOM 372 CA LYS A 25 -12.572 9.087 0.750 1.00 55.10 C ATOM 373 C LYS A 25 -13.373 8.241 -0.242 1.00 0.44 C ATOM 374 O LYS A 25 -13.867 7.167 0.104 1.00 20.13 O ATOM 375 CB LYS A 25 -13.419 9.464 1.968 1.00 0.53 C ATOM 376 CG LYS A 25 -14.512 10.478 1.676 1.00 63.33 C ATOM 377 CD LYS A 25 -15.114 11.011 2.968 1.00 62.44 C ATOM 378 CE LYS A 25 -14.087 11.787 3.784 1.00 2.54 C ATOM 379 NZ LYS A 25 -14.595 12.141 5.134 1.00 54.13 N ATOM 0 H LYS A 25 -12.481 11.157 0.416 1.00 3.41 H new ATOM 0 HA LYS A 25 -11.735 8.472 1.082 1.00 55.10 H new ATOM 0 HB2 LYS A 25 -13.875 8.561 2.373 1.00 0.53 H new ATOM 0 HB3 LYS A 25 -12.764 9.865 2.742 1.00 0.53 H new ATOM 0 HG2 LYS A 25 -14.103 11.303 1.093 1.00 63.33 H new ATOM 0 HG3 LYS A 25 -15.291 10.015 1.070 1.00 63.33 H new ATOM 0 HD2 LYS A 25 -15.960 11.658 2.737 1.00 62.44 H new ATOM 0 HD3 LYS A 25 -15.499 10.181 3.561 1.00 62.44 H new ATOM 0 HE2 LYS A 25 -13.180 11.191 3.884 1.00 2.54 H new ATOM 0 HE3 LYS A 25 -13.814 12.697 3.250 1.00 2.54 H new ATOM 0 HZ1 LYS A 25 -13.864 12.668 5.653 1.00 54.13 H new ATOM 0 HZ2 LYS A 25 -15.446 12.731 5.041 1.00 54.13 H new ATOM 0 HZ3 LYS A 25 -14.831 11.272 5.655 1.00 54.13 H new ATOM 393 N SER A 26 -13.489 8.726 -1.469 1.00 1.44 N ATOM 394 CA SER A 26 -14.129 7.971 -2.532 1.00 43.32 C ATOM 395 C SER A 26 -13.069 7.292 -3.404 1.00 43.31 C ATOM 396 O SER A 26 -13.386 6.675 -4.422 1.00 4.42 O ATOM 397 CB SER A 26 -15.014 8.888 -3.381 1.00 63.31 C ATOM 398 OG SER A 26 -15.660 8.165 -4.415 1.00 0.00 O ATOM 0 H SER A 26 -13.146 9.644 -1.753 1.00 1.44 H new ATOM 0 HA SER A 26 -14.760 7.203 -2.086 1.00 43.32 H new ATOM 0 HB2 SER A 26 -15.761 9.366 -2.747 1.00 63.31 H new ATOM 0 HB3 SER A 26 -14.408 9.683 -3.814 1.00 63.31 H new ATOM 0 HG SER A 26 -15.045 7.495 -4.779 1.00 0.00 H new ATOM 404 N PHE A 27 -11.810 7.418 -3.001 1.00 70.01 N ATOM 405 CA PHE A 27 -10.708 6.790 -3.715 1.00 51.53 C ATOM 406 C PHE A 27 -10.642 5.312 -3.349 1.00 11.13 C ATOM 407 O PHE A 27 -10.263 4.951 -2.234 1.00 33.11 O ATOM 408 CB PHE A 27 -9.388 7.497 -3.375 1.00 31.10 C ATOM 409 CG PHE A 27 -8.222 7.072 -4.223 1.00 72.14 C ATOM 410 CD1 PHE A 27 -8.086 7.542 -5.519 1.00 14.20 C ATOM 411 CD2 PHE A 27 -7.257 6.216 -3.720 1.00 71.41 C ATOM 412 CE1 PHE A 27 -7.008 7.164 -6.297 1.00 4.21 C ATOM 413 CE2 PHE A 27 -6.179 5.833 -4.493 1.00 24.52 C ATOM 414 CZ PHE A 27 -6.055 6.309 -5.783 1.00 43.55 C ATOM 0 H PHE A 27 -11.528 7.952 -2.179 1.00 70.01 H new ATOM 0 HA PHE A 27 -10.872 6.878 -4.789 1.00 51.53 H new ATOM 0 HB2 PHE A 27 -9.527 8.573 -3.483 1.00 31.10 H new ATOM 0 HB3 PHE A 27 -9.148 7.310 -2.328 1.00 31.10 H new ATOM 0 HD1 PHE A 27 -8.830 8.211 -5.926 1.00 14.20 H new ATOM 0 HD2 PHE A 27 -7.349 5.843 -2.711 1.00 71.41 H new ATOM 0 HE1 PHE A 27 -6.912 7.537 -7.306 1.00 4.21 H new ATOM 0 HE2 PHE A 27 -5.435 5.163 -4.089 1.00 24.52 H new ATOM 0 HZ PHE A 27 -5.212 6.012 -6.390 1.00 43.55 H new ATOM 424 N SER A 28 -11.031 4.468 -4.289 1.00 64.22 N ATOM 425 CA SER A 28 -11.119 3.036 -4.050 1.00 45.35 C ATOM 426 C SER A 28 -10.178 2.264 -4.971 1.00 22.04 C ATOM 427 O SER A 28 -10.376 1.078 -5.230 1.00 54.31 O ATOM 428 CB SER A 28 -12.568 2.580 -4.248 1.00 10.00 C ATOM 429 OG SER A 28 -13.149 3.199 -5.390 1.00 44.03 O ATOM 0 H SER A 28 -11.293 4.752 -5.233 1.00 64.22 H new ATOM 0 HA SER A 28 -10.812 2.829 -3.025 1.00 45.35 H new ATOM 0 HB2 SER A 28 -12.599 1.496 -4.363 1.00 10.00 H new ATOM 0 HB3 SER A 28 -13.153 2.823 -3.361 1.00 10.00 H new ATOM 0 HG SER A 28 -14.073 2.890 -5.495 1.00 44.03 H new ATOM 435 N ALA A 29 -9.138 2.937 -5.443 1.00 53.03 N ATOM 436 CA ALA A 29 -8.186 2.322 -6.355 1.00 32.34 C ATOM 437 C ALA A 29 -7.131 1.521 -5.597 1.00 43.32 C ATOM 438 O ALA A 29 -6.327 2.076 -4.846 1.00 32.33 O ATOM 439 CB ALA A 29 -7.524 3.382 -7.224 1.00 40.22 C ATOM 0 H ALA A 29 -8.933 3.908 -5.209 1.00 53.03 H new ATOM 0 HA ALA A 29 -8.734 1.632 -6.997 1.00 32.34 H new ATOM 0 HB1 ALA A 29 -6.814 2.906 -7.901 1.00 40.22 H new ATOM 0 HB2 ALA A 29 -8.285 3.904 -7.804 1.00 40.22 H new ATOM 0 HB3 ALA A 29 -6.998 4.096 -6.590 1.00 40.22 H new ATOM 445 N ASP A 30 -7.153 0.210 -5.789 1.00 71.44 N ATOM 446 CA ASP A 30 -6.158 -0.672 -5.197 1.00 54.32 C ATOM 447 C ASP A 30 -4.981 -0.841 -6.150 1.00 5.51 C ATOM 448 O ASP A 30 -5.140 -0.763 -7.373 1.00 22.34 O ATOM 449 CB ASP A 30 -6.772 -2.037 -4.868 1.00 44.44 C ATOM 450 CG ASP A 30 -7.263 -2.768 -6.102 1.00 74.20 C ATOM 451 OD1 ASP A 30 -8.270 -2.328 -6.696 1.00 2.31 O ATOM 452 OD2 ASP A 30 -6.652 -3.790 -6.479 1.00 40.24 O ATOM 0 H ASP A 30 -7.854 -0.269 -6.354 1.00 71.44 H new ATOM 0 HA ASP A 30 -5.804 -0.223 -4.269 1.00 54.32 H new ATOM 0 HB2 ASP A 30 -6.030 -2.651 -4.357 1.00 44.44 H new ATOM 0 HB3 ASP A 30 -7.603 -1.900 -4.176 1.00 44.44 H new ATOM 457 N ALA A 31 -3.803 -1.069 -5.596 1.00 33.03 N ATOM 458 CA ALA A 31 -2.597 -1.173 -6.402 1.00 62.54 C ATOM 459 C ALA A 31 -1.924 -2.528 -6.228 1.00 34.44 C ATOM 460 O ALA A 31 -1.864 -3.071 -5.124 1.00 63.11 O ATOM 461 CB ALA A 31 -1.634 -0.051 -6.049 1.00 44.43 C ATOM 0 H ALA A 31 -3.655 -1.186 -4.594 1.00 33.03 H new ATOM 0 HA ALA A 31 -2.883 -1.080 -7.450 1.00 62.54 H new ATOM 0 HB1 ALA A 31 -0.734 -0.138 -6.658 1.00 44.43 H new ATOM 0 HB2 ALA A 31 -2.110 0.911 -6.241 1.00 44.43 H new ATOM 0 HB3 ALA A 31 -1.366 -0.120 -4.995 1.00 44.43 H new ATOM 467 N ARG A 32 -1.428 -3.068 -7.333 1.00 64.32 N ATOM 468 CA ARG A 32 -0.715 -4.335 -7.323 1.00 74.20 C ATOM 469 C ARG A 32 0.736 -4.140 -6.893 1.00 61.52 C ATOM 470 O ARG A 32 1.523 -3.505 -7.600 1.00 51.14 O ATOM 471 CB ARG A 32 -0.772 -4.987 -8.711 1.00 60.45 C ATOM 472 CG ARG A 32 -0.405 -4.044 -9.851 1.00 53.21 C ATOM 473 CD ARG A 32 -0.334 -4.761 -11.191 1.00 3.40 C ATOM 474 NE ARG A 32 -1.582 -5.450 -11.516 1.00 14.34 N ATOM 475 CZ ARG A 32 -2.420 -5.076 -12.485 1.00 11.24 C ATOM 476 NH1 ARG A 32 -2.164 -3.997 -13.223 1.00 63.41 N ATOM 477 NH2 ARG A 32 -3.515 -5.786 -12.712 1.00 60.45 N ATOM 0 H ARG A 32 -1.509 -2.642 -8.256 1.00 64.32 H new ATOM 0 HA ARG A 32 -1.200 -4.993 -6.602 1.00 74.20 H new ATOM 0 HB2 ARG A 32 -0.096 -5.842 -8.728 1.00 60.45 H new ATOM 0 HB3 ARG A 32 -1.778 -5.372 -8.880 1.00 60.45 H new ATOM 0 HG2 ARG A 32 -1.142 -3.243 -9.908 1.00 53.21 H new ATOM 0 HG3 ARG A 32 0.557 -3.578 -9.639 1.00 53.21 H new ATOM 0 HD2 ARG A 32 -0.104 -4.040 -11.975 1.00 3.40 H new ATOM 0 HD3 ARG A 32 0.483 -5.482 -11.172 1.00 3.40 H new ATOM 0 HE ARG A 32 -1.829 -6.272 -10.965 1.00 14.34 H new ATOM 0 HH11 ARG A 32 -1.321 -3.449 -13.050 1.00 63.41 H new ATOM 0 HH12 ARG A 32 -2.810 -3.719 -13.961 1.00 63.41 H new ATOM 0 HH21 ARG A 32 -3.713 -6.612 -12.148 1.00 60.45 H new ATOM 0 HH22 ARG A 32 -4.160 -5.506 -13.451 1.00 60.45 H new ATOM 491 N PHE A 33 1.081 -4.670 -5.729 1.00 64.15 N ATOM 492 CA PHE A 33 2.449 -4.601 -5.233 1.00 1.11 C ATOM 493 C PHE A 33 2.848 -5.909 -4.566 1.00 0.55 C ATOM 494 O PHE A 33 2.009 -6.784 -4.333 1.00 44.11 O ATOM 495 CB PHE A 33 2.631 -3.442 -4.247 1.00 62.41 C ATOM 496 CG PHE A 33 2.722 -2.092 -4.901 1.00 3.22 C ATOM 497 CD1 PHE A 33 3.841 -1.742 -5.641 1.00 32.25 C ATOM 498 CD2 PHE A 33 1.698 -1.169 -4.766 1.00 21.54 C ATOM 499 CE1 PHE A 33 3.935 -0.498 -6.235 1.00 52.04 C ATOM 500 CE2 PHE A 33 1.789 0.075 -5.360 1.00 35.31 C ATOM 501 CZ PHE A 33 2.908 0.411 -6.094 1.00 73.24 C ATOM 0 H PHE A 33 0.432 -5.154 -5.109 1.00 64.15 H new ATOM 0 HA PHE A 33 3.096 -4.426 -6.093 1.00 1.11 H new ATOM 0 HB2 PHE A 33 1.796 -3.440 -3.547 1.00 62.41 H new ATOM 0 HB3 PHE A 33 3.536 -3.613 -3.664 1.00 62.41 H new ATOM 0 HD1 PHE A 33 4.649 -2.450 -5.754 1.00 32.25 H new ATOM 0 HD2 PHE A 33 0.820 -1.424 -4.191 1.00 21.54 H new ATOM 0 HE1 PHE A 33 4.812 -0.238 -6.809 1.00 52.04 H new ATOM 0 HE2 PHE A 33 0.983 0.785 -5.250 1.00 35.31 H new ATOM 0 HZ PHE A 33 2.979 1.384 -6.557 1.00 73.24 H new ATOM 511 N SER A 34 4.132 -6.033 -4.271 1.00 20.02 N ATOM 512 CA SER A 34 4.660 -7.206 -3.603 1.00 4.42 C ATOM 513 C SER A 34 4.973 -6.882 -2.141 1.00 20.23 C ATOM 514 O SER A 34 5.743 -5.963 -1.858 1.00 31.04 O ATOM 515 CB SER A 34 5.924 -7.680 -4.325 1.00 65.41 C ATOM 516 OG SER A 34 6.865 -6.621 -4.438 1.00 5.34 O ATOM 0 H SER A 34 4.833 -5.325 -4.488 1.00 20.02 H new ATOM 0 HA SER A 34 3.915 -8.002 -3.629 1.00 4.42 H new ATOM 0 HB2 SER A 34 6.369 -8.512 -3.780 1.00 65.41 H new ATOM 0 HB3 SER A 34 5.665 -8.050 -5.317 1.00 65.41 H new ATOM 0 HG SER A 34 6.815 -6.053 -3.641 1.00 5.34 H new ATOM 522 N PRO A 35 4.389 -7.637 -1.196 1.00 4.44 N ATOM 523 CA PRO A 35 4.595 -7.421 0.244 1.00 60.30 C ATOM 524 C PRO A 35 6.029 -7.720 0.676 1.00 35.01 C ATOM 525 O PRO A 35 6.423 -7.442 1.809 1.00 54.11 O ATOM 526 CB PRO A 35 3.628 -8.409 0.910 1.00 1.31 C ATOM 527 CG PRO A 35 2.698 -8.850 -0.169 1.00 11.11 C ATOM 528 CD PRO A 35 3.471 -8.757 -1.451 1.00 14.34 C ATOM 0 HA PRO A 35 4.417 -6.382 0.520 1.00 60.30 H new ATOM 0 HB2 PRO A 35 4.165 -9.257 1.335 1.00 1.31 H new ATOM 0 HB3 PRO A 35 3.084 -7.935 1.727 1.00 1.31 H new ATOM 0 HG2 PRO A 35 2.355 -9.870 0.006 1.00 11.11 H new ATOM 0 HG3 PRO A 35 1.812 -8.217 -0.202 1.00 11.11 H new ATOM 0 HD2 PRO A 35 4.009 -9.680 -1.667 1.00 14.34 H new ATOM 0 HD3 PRO A 35 2.820 -8.561 -2.303 1.00 14.34 H new ATOM 536 N GLN A 36 6.812 -8.282 -0.238 1.00 71.21 N ATOM 537 CA GLN A 36 8.208 -8.605 0.033 1.00 74.31 C ATOM 538 C GLN A 36 9.086 -7.355 -0.033 1.00 50.33 C ATOM 539 O GLN A 36 10.304 -7.432 0.104 1.00 33.22 O ATOM 540 CB GLN A 36 8.710 -9.657 -0.958 1.00 10.02 C ATOM 541 CG GLN A 36 8.000 -10.996 -0.827 1.00 31.21 C ATOM 542 CD GLN A 36 8.508 -12.029 -1.813 1.00 23.35 C ATOM 543 OE1 GLN A 36 9.451 -12.767 -1.525 1.00 31.42 O ATOM 544 NE2 GLN A 36 7.879 -12.100 -2.975 1.00 33.33 N ATOM 0 H GLN A 36 6.501 -8.525 -1.179 1.00 71.21 H new ATOM 0 HA GLN A 36 8.271 -9.010 1.043 1.00 74.31 H new ATOM 0 HB2 GLN A 36 8.578 -9.282 -1.973 1.00 10.02 H new ATOM 0 HB3 GLN A 36 9.780 -9.805 -0.809 1.00 10.02 H new ATOM 0 HG2 GLN A 36 8.130 -11.374 0.187 1.00 31.21 H new ATOM 0 HG3 GLN A 36 6.930 -10.851 -0.978 1.00 31.21 H new ATOM 0 HE21 GLN A 36 7.102 -11.470 -3.174 1.00 33.33 H new ATOM 0 HE22 GLN A 36 8.171 -12.785 -3.672 1.00 33.33 H new ATOM 553 N MET A 37 8.456 -6.206 -0.243 1.00 45.22 N ATOM 554 CA MET A 37 9.166 -4.935 -0.261 1.00 41.21 C ATOM 555 C MET A 37 9.178 -4.330 1.141 1.00 64.03 C ATOM 556 O MET A 37 8.235 -4.513 1.909 1.00 64.34 O ATOM 557 CB MET A 37 8.502 -3.972 -1.252 1.00 51.43 C ATOM 558 CG MET A 37 9.256 -2.664 -1.454 1.00 53.41 C ATOM 559 SD MET A 37 8.448 -1.566 -2.641 1.00 12.11 S ATOM 560 CE MET A 37 8.402 -2.613 -4.094 1.00 41.53 C ATOM 0 H MET A 37 7.452 -6.129 -0.404 1.00 45.22 H new ATOM 0 HA MET A 37 10.194 -5.105 -0.581 1.00 41.21 H new ATOM 0 HB2 MET A 37 8.401 -4.472 -2.215 1.00 51.43 H new ATOM 0 HB3 MET A 37 7.494 -3.747 -0.903 1.00 51.43 H new ATOM 0 HG2 MET A 37 9.348 -2.152 -0.496 1.00 53.41 H new ATOM 0 HG3 MET A 37 10.267 -2.882 -1.798 1.00 53.41 H new ATOM 0 HE1 MET A 37 8.325 -1.993 -4.987 1.00 41.53 H new ATOM 0 HE2 MET A 37 9.314 -3.208 -4.143 1.00 41.53 H new ATOM 0 HE3 MET A 37 7.539 -3.276 -4.037 1.00 41.53 H new ATOM 570 N SER A 38 10.251 -3.630 1.474 1.00 0.24 N ATOM 571 CA SER A 38 10.384 -3.018 2.783 1.00 34.52 C ATOM 572 C SER A 38 9.935 -1.558 2.753 1.00 1.30 C ATOM 573 O SER A 38 10.031 -0.881 1.723 1.00 45.51 O ATOM 574 CB SER A 38 11.837 -3.115 3.246 1.00 2.11 C ATOM 575 OG SER A 38 12.712 -2.589 2.263 1.00 1.32 O ATOM 0 H SER A 38 11.044 -3.472 0.852 1.00 0.24 H new ATOM 0 HA SER A 38 9.743 -3.552 3.485 1.00 34.52 H new ATOM 0 HB2 SER A 38 11.963 -2.570 4.181 1.00 2.11 H new ATOM 0 HB3 SER A 38 12.091 -4.156 3.447 1.00 2.11 H new ATOM 0 HG SER A 38 13.637 -2.658 2.578 1.00 1.32 H new ATOM 581 N VAL A 39 9.459 -1.073 3.893 1.00 53.00 N ATOM 582 CA VAL A 39 9.006 0.308 4.019 1.00 73.43 C ATOM 583 C VAL A 39 10.215 1.239 4.160 1.00 41.13 C ATOM 584 O VAL A 39 10.099 2.466 4.121 1.00 30.01 O ATOM 585 CB VAL A 39 8.059 0.470 5.234 1.00 21.31 C ATOM 586 CG1 VAL A 39 7.399 1.844 5.249 1.00 74.21 C ATOM 587 CG2 VAL A 39 7.001 -0.626 5.239 1.00 34.33 C ATOM 0 H VAL A 39 9.376 -1.620 4.750 1.00 53.00 H new ATOM 0 HA VAL A 39 8.451 0.575 3.120 1.00 73.43 H new ATOM 0 HB VAL A 39 8.663 0.380 6.137 1.00 21.31 H new ATOM 0 HG11 VAL A 39 6.742 1.922 6.115 1.00 74.21 H new ATOM 0 HG12 VAL A 39 8.167 2.616 5.305 1.00 74.21 H new ATOM 0 HG13 VAL A 39 6.816 1.978 4.338 1.00 74.21 H new ATOM 0 HG21 VAL A 39 6.346 -0.495 6.100 1.00 34.33 H new ATOM 0 HG22 VAL A 39 6.413 -0.568 4.323 1.00 34.33 H new ATOM 0 HG23 VAL A 39 7.487 -1.600 5.298 1.00 34.33 H new ATOM 597 N GLU A 40 11.384 0.638 4.314 1.00 5.35 N ATOM 598 CA GLU A 40 12.629 1.383 4.382 1.00 34.24 C ATOM 599 C GLU A 40 12.915 2.065 3.040 1.00 40.34 C ATOM 600 O GLU A 40 13.298 3.234 2.988 1.00 62.22 O ATOM 601 CB GLU A 40 13.778 0.439 4.743 1.00 21.02 C ATOM 602 CG GLU A 40 15.106 1.143 4.955 1.00 33.03 C ATOM 603 CD GLU A 40 16.274 0.181 5.015 1.00 42.53 C ATOM 604 OE1 GLU A 40 16.401 -0.550 6.020 1.00 62.43 O ATOM 605 OE2 GLU A 40 17.069 0.152 4.050 1.00 5.12 O ATOM 0 H GLU A 40 11.496 -0.373 4.395 1.00 5.35 H new ATOM 0 HA GLU A 40 12.539 2.150 5.151 1.00 34.24 H new ATOM 0 HB2 GLU A 40 13.517 -0.105 5.651 1.00 21.02 H new ATOM 0 HB3 GLU A 40 13.892 -0.300 3.950 1.00 21.02 H new ATOM 0 HG2 GLU A 40 15.268 1.855 4.146 1.00 33.03 H new ATOM 0 HG3 GLU A 40 15.065 1.716 5.881 1.00 33.03 H new ATOM 612 N ALA A 41 12.684 1.332 1.956 1.00 12.14 N ATOM 613 CA ALA A 41 13.036 1.799 0.619 1.00 61.42 C ATOM 614 C ALA A 41 12.019 2.798 0.073 1.00 72.32 C ATOM 615 O ALA A 41 12.377 3.698 -0.690 1.00 21.34 O ATOM 616 CB ALA A 41 13.166 0.618 -0.332 1.00 22.02 C ATOM 0 H ALA A 41 12.253 0.408 1.977 1.00 12.14 H new ATOM 0 HA ALA A 41 13.994 2.314 0.696 1.00 61.42 H new ATOM 0 HB1 ALA A 41 13.429 0.979 -1.326 1.00 22.02 H new ATOM 0 HB2 ALA A 41 13.945 -0.055 0.028 1.00 22.02 H new ATOM 0 HB3 ALA A 41 12.218 0.083 -0.379 1.00 22.02 H new ATOM 622 N VAL A 42 10.758 2.651 0.467 1.00 54.45 N ATOM 623 CA VAL A 42 9.687 3.473 -0.092 1.00 24.55 C ATOM 624 C VAL A 42 9.848 4.947 0.299 1.00 44.44 C ATOM 625 O VAL A 42 9.401 5.836 -0.426 1.00 55.25 O ATOM 626 CB VAL A 42 8.286 2.963 0.330 1.00 51.12 C ATOM 627 CG1 VAL A 42 8.039 3.183 1.814 1.00 51.24 C ATOM 628 CG2 VAL A 42 7.195 3.622 -0.503 1.00 21.21 C ATOM 0 H VAL A 42 10.452 1.975 1.167 1.00 54.45 H new ATOM 0 HA VAL A 42 9.766 3.390 -1.176 1.00 24.55 H new ATOM 0 HB VAL A 42 8.256 1.889 0.145 1.00 51.12 H new ATOM 0 HG11 VAL A 42 7.047 2.814 2.076 1.00 51.24 H new ATOM 0 HG12 VAL A 42 8.791 2.645 2.392 1.00 51.24 H new ATOM 0 HG13 VAL A 42 8.101 4.248 2.039 1.00 51.24 H new ATOM 0 HG21 VAL A 42 6.221 3.248 -0.188 1.00 21.21 H new ATOM 0 HG22 VAL A 42 7.232 4.702 -0.362 1.00 21.21 H new ATOM 0 HG23 VAL A 42 7.350 3.388 -1.556 1.00 21.21 H new ATOM 638 N LYS A 43 10.513 5.200 1.426 1.00 1.02 N ATOM 639 CA LYS A 43 10.722 6.567 1.897 1.00 1.42 C ATOM 640 C LYS A 43 11.565 7.348 0.900 1.00 10.34 C ATOM 641 O LYS A 43 11.177 8.430 0.457 1.00 52.00 O ATOM 642 CB LYS A 43 11.401 6.578 3.268 1.00 1.25 C ATOM 643 CG LYS A 43 10.672 5.767 4.323 1.00 32.35 C ATOM 644 CD LYS A 43 11.209 6.068 5.714 1.00 21.22 C ATOM 645 CE LYS A 43 10.732 5.052 6.737 1.00 71.24 C ATOM 646 NZ LYS A 43 11.295 3.704 6.466 1.00 55.12 N ATOM 0 H LYS A 43 10.914 4.480 2.027 1.00 1.02 H new ATOM 0 HA LYS A 43 9.745 7.041 1.990 1.00 1.42 H new ATOM 0 HB2 LYS A 43 12.415 6.192 3.163 1.00 1.25 H new ATOM 0 HB3 LYS A 43 11.487 7.609 3.612 1.00 1.25 H new ATOM 0 HG2 LYS A 43 9.606 5.990 4.285 1.00 32.35 H new ATOM 0 HG3 LYS A 43 10.783 4.704 4.109 1.00 32.35 H new ATOM 0 HD2 LYS A 43 12.299 6.074 5.689 1.00 21.22 H new ATOM 0 HD3 LYS A 43 10.892 7.066 6.018 1.00 21.22 H new ATOM 0 HE2 LYS A 43 11.023 5.375 7.736 1.00 71.24 H new ATOM 0 HE3 LYS A 43 9.643 5.003 6.723 1.00 71.24 H new ATOM 0 HZ1 LYS A 43 11.136 3.089 7.290 1.00 55.12 H new ATOM 0 HZ2 LYS A 43 10.828 3.294 5.632 1.00 55.12 H new ATOM 0 HZ3 LYS A 43 12.316 3.784 6.286 1.00 55.12 H new ATOM 660 N GLU A 44 12.708 6.779 0.527 1.00 1.42 N ATOM 661 CA GLU A 44 13.595 7.416 -0.440 1.00 74.43 C ATOM 662 C GLU A 44 12.947 7.424 -1.819 1.00 5.52 C ATOM 663 O GLU A 44 13.169 8.334 -2.615 1.00 74.10 O ATOM 664 CB GLU A 44 14.943 6.692 -0.505 1.00 53.32 C ATOM 665 CG GLU A 44 15.932 7.349 -1.459 1.00 54.33 C ATOM 666 CD GLU A 44 17.178 6.522 -1.683 1.00 21.54 C ATOM 667 OE1 GLU A 44 17.124 5.570 -2.493 1.00 22.43 O ATOM 668 OE2 GLU A 44 18.220 6.830 -1.077 1.00 61.44 O ATOM 0 H GLU A 44 13.040 5.881 0.879 1.00 1.42 H new ATOM 0 HA GLU A 44 13.769 8.442 -0.117 1.00 74.43 H new ATOM 0 HB2 GLU A 44 15.379 6.659 0.494 1.00 53.32 H new ATOM 0 HB3 GLU A 44 14.779 5.660 -0.816 1.00 53.32 H new ATOM 0 HG2 GLU A 44 15.442 7.524 -2.417 1.00 54.33 H new ATOM 0 HG3 GLU A 44 16.216 8.324 -1.063 1.00 54.33 H new ATOM 675 N LYS A 45 12.129 6.412 -2.081 1.00 72.42 N ATOM 676 CA LYS A 45 11.462 6.269 -3.368 1.00 33.33 C ATOM 677 C LYS A 45 10.593 7.486 -3.668 1.00 41.34 C ATOM 678 O LYS A 45 10.581 7.986 -4.788 1.00 21.24 O ATOM 679 CB LYS A 45 10.620 4.991 -3.381 1.00 11.03 C ATOM 680 CG LYS A 45 9.980 4.682 -4.726 1.00 64.22 C ATOM 681 CD LYS A 45 9.282 3.329 -4.716 1.00 72.54 C ATOM 682 CE LYS A 45 10.268 2.196 -4.474 1.00 24.20 C ATOM 683 NZ LYS A 45 9.619 0.861 -4.544 1.00 3.15 N ATOM 0 H LYS A 45 11.911 5.673 -1.413 1.00 72.42 H new ATOM 0 HA LYS A 45 12.222 6.199 -4.146 1.00 33.33 H new ATOM 0 HB2 LYS A 45 11.250 4.151 -3.089 1.00 11.03 H new ATOM 0 HB3 LYS A 45 9.836 5.078 -2.629 1.00 11.03 H new ATOM 0 HG2 LYS A 45 9.260 5.462 -4.975 1.00 64.22 H new ATOM 0 HG3 LYS A 45 10.743 4.693 -5.504 1.00 64.22 H new ATOM 0 HD2 LYS A 45 8.517 3.319 -3.940 1.00 72.54 H new ATOM 0 HD3 LYS A 45 8.773 3.173 -5.667 1.00 72.54 H new ATOM 0 HE2 LYS A 45 11.067 2.248 -5.213 1.00 24.20 H new ATOM 0 HE3 LYS A 45 10.730 2.322 -3.495 1.00 24.20 H new ATOM 0 HZ1 LYS A 45 10.226 0.208 -5.079 1.00 3.15 H new ATOM 0 HZ2 LYS A 45 9.477 0.493 -3.582 1.00 3.15 H new ATOM 0 HZ3 LYS A 45 8.699 0.947 -5.021 1.00 3.15 H new ATOM 697 N LEU A 46 9.884 7.973 -2.655 1.00 4.21 N ATOM 698 CA LEU A 46 9.044 9.156 -2.816 1.00 33.14 C ATOM 699 C LEU A 46 9.882 10.429 -2.708 1.00 71.34 C ATOM 700 O LEU A 46 9.521 11.477 -3.255 1.00 15.52 O ATOM 701 CB LEU A 46 7.934 9.168 -1.760 1.00 1.24 C ATOM 702 CG LEU A 46 6.974 7.980 -1.810 1.00 51.35 C ATOM 703 CD1 LEU A 46 5.969 8.063 -0.675 1.00 42.41 C ATOM 704 CD2 LEU A 46 6.261 7.926 -3.152 1.00 73.23 C ATOM 0 H LEU A 46 9.873 7.570 -1.718 1.00 4.21 H new ATOM 0 HA LEU A 46 8.590 9.121 -3.806 1.00 33.14 H new ATOM 0 HB2 LEU A 46 8.395 9.201 -0.773 1.00 1.24 H new ATOM 0 HB3 LEU A 46 7.357 10.086 -1.873 1.00 1.24 H new ATOM 0 HG LEU A 46 7.552 7.064 -1.692 1.00 51.35 H new ATOM 0 HD11 LEU A 46 5.293 7.210 -0.725 1.00 42.41 H new ATOM 0 HD12 LEU A 46 6.496 8.053 0.279 1.00 42.41 H new ATOM 0 HD13 LEU A 46 5.396 8.986 -0.763 1.00 42.41 H new ATOM 0 HD21 LEU A 46 5.582 7.074 -3.169 1.00 73.23 H new ATOM 0 HD22 LEU A 46 5.694 8.845 -3.300 1.00 73.23 H new ATOM 0 HD23 LEU A 46 6.996 7.820 -3.950 1.00 73.23 H new ATOM 716 N TRP A 47 11.007 10.323 -2.014 1.00 53.10 N ATOM 717 CA TRP A 47 11.901 11.454 -1.792 1.00 44.24 C ATOM 718 C TRP A 47 12.590 11.865 -3.094 1.00 30.13 C ATOM 719 O TRP A 47 12.503 13.019 -3.512 1.00 13.13 O ATOM 720 CB TRP A 47 12.939 11.091 -0.717 1.00 54.52 C ATOM 721 CG TRP A 47 13.851 12.215 -0.318 1.00 32.32 C ATOM 722 CD1 TRP A 47 13.748 13.533 -0.666 1.00 21.02 C ATOM 723 CD2 TRP A 47 15.007 12.111 0.522 1.00 64.32 C ATOM 724 NE1 TRP A 47 14.776 14.248 -0.107 1.00 55.24 N ATOM 725 CE2 TRP A 47 15.559 13.401 0.632 1.00 13.23 C ATOM 726 CE3 TRP A 47 15.629 11.050 1.194 1.00 14.42 C ATOM 727 CZ2 TRP A 47 16.703 13.658 1.381 1.00 30.31 C ATOM 728 CZ3 TRP A 47 16.764 11.310 1.939 1.00 33.33 C ATOM 729 CH2 TRP A 47 17.290 12.603 2.027 1.00 32.53 C ATOM 0 H TRP A 47 11.326 9.452 -1.589 1.00 53.10 H new ATOM 0 HA TRP A 47 11.314 12.304 -1.444 1.00 44.24 H new ATOM 0 HB2 TRP A 47 12.414 10.735 0.170 1.00 54.52 H new ATOM 0 HB3 TRP A 47 13.545 10.262 -1.082 1.00 54.52 H new ATOM 0 HD1 TRP A 47 12.971 13.950 -1.290 1.00 21.02 H new ATOM 0 HE1 TRP A 47 14.932 15.249 -0.223 1.00 55.24 H new ATOM 0 HE3 TRP A 47 15.229 10.049 1.131 1.00 14.42 H new ATOM 0 HZ2 TRP A 47 17.114 14.655 1.450 1.00 30.31 H new ATOM 0 HZ3 TRP A 47 17.253 10.501 2.462 1.00 33.33 H new ATOM 0 HH2 TRP A 47 18.178 12.773 2.617 1.00 32.53 H new ATOM 740 N LYS A 48 13.249 10.916 -3.749 1.00 44.03 N ATOM 741 CA LYS A 48 14.005 11.217 -4.964 1.00 61.34 C ATOM 742 C LYS A 48 13.094 11.263 -6.189 1.00 45.22 C ATOM 743 O LYS A 48 13.523 11.627 -7.283 1.00 45.13 O ATOM 744 CB LYS A 48 15.135 10.201 -5.167 1.00 34.50 C ATOM 745 CG LYS A 48 14.666 8.759 -5.268 1.00 65.40 C ATOM 746 CD LYS A 48 15.841 7.796 -5.257 1.00 70.30 C ATOM 747 CE LYS A 48 15.381 6.347 -5.260 1.00 22.12 C ATOM 748 NZ LYS A 48 16.524 5.410 -5.123 1.00 70.11 N ATOM 0 H LYS A 48 13.277 9.937 -3.463 1.00 44.03 H new ATOM 0 HA LYS A 48 14.449 12.205 -4.842 1.00 61.34 H new ATOM 0 HB2 LYS A 48 15.681 10.458 -6.075 1.00 34.50 H new ATOM 0 HB3 LYS A 48 15.838 10.285 -4.338 1.00 34.50 H new ATOM 0 HG2 LYS A 48 13.999 8.532 -4.436 1.00 65.40 H new ATOM 0 HG3 LYS A 48 14.091 8.624 -6.184 1.00 65.40 H new ATOM 0 HD2 LYS A 48 16.470 7.980 -6.128 1.00 70.30 H new ATOM 0 HD3 LYS A 48 16.455 7.981 -4.376 1.00 70.30 H new ATOM 0 HE2 LYS A 48 14.678 6.186 -4.443 1.00 22.12 H new ATOM 0 HE3 LYS A 48 14.846 6.136 -6.186 1.00 22.12 H new ATOM 0 HZ1 LYS A 48 16.170 4.432 -5.095 1.00 70.11 H new ATOM 0 HZ2 LYS A 48 17.165 5.523 -5.934 1.00 70.11 H new ATOM 0 HZ3 LYS A 48 17.039 5.617 -4.244 1.00 70.11 H new ATOM 762 N LYS A 49 11.834 10.896 -6.003 1.00 74.22 N ATOM 763 CA LYS A 49 10.860 10.967 -7.082 1.00 71.22 C ATOM 764 C LYS A 49 10.346 12.392 -7.237 1.00 53.22 C ATOM 765 O LYS A 49 10.213 12.902 -8.350 1.00 3.45 O ATOM 766 CB LYS A 49 9.687 10.020 -6.818 1.00 35.13 C ATOM 767 CG LYS A 49 8.604 10.080 -7.882 1.00 13.34 C ATOM 768 CD LYS A 49 7.455 9.134 -7.572 1.00 24.41 C ATOM 769 CE LYS A 49 6.356 9.239 -8.617 1.00 5.22 C ATOM 770 NZ LYS A 49 6.825 8.819 -9.967 1.00 1.10 N ATOM 0 H LYS A 49 11.464 10.547 -5.119 1.00 74.22 H new ATOM 0 HA LYS A 49 11.354 10.662 -8.005 1.00 71.22 H new ATOM 0 HB2 LYS A 49 10.063 8.999 -6.752 1.00 35.13 H new ATOM 0 HB3 LYS A 49 9.247 10.261 -5.850 1.00 35.13 H new ATOM 0 HG2 LYS A 49 8.225 11.099 -7.958 1.00 13.34 H new ATOM 0 HG3 LYS A 49 9.032 9.826 -8.852 1.00 13.34 H new ATOM 0 HD2 LYS A 49 7.825 8.110 -7.532 1.00 24.41 H new ATOM 0 HD3 LYS A 49 7.047 9.364 -6.588 1.00 24.41 H new ATOM 0 HE2 LYS A 49 5.511 8.618 -8.318 1.00 5.22 H new ATOM 0 HE3 LYS A 49 5.996 10.267 -8.662 1.00 5.22 H new ATOM 0 HZ1 LYS A 49 6.011 8.743 -10.609 1.00 1.10 H new ATOM 0 HZ2 LYS A 49 7.494 9.524 -10.337 1.00 1.10 H new ATOM 0 HZ3 LYS A 49 7.299 7.896 -9.898 1.00 1.10 H new ATOM 784 N CYS A 50 10.066 13.030 -6.111 1.00 53.22 N ATOM 785 CA CYS A 50 9.506 14.372 -6.114 1.00 14.23 C ATOM 786 C CYS A 50 9.733 15.042 -4.762 1.00 71.34 C ATOM 787 O CYS A 50 10.000 16.241 -4.688 1.00 14.34 O ATOM 788 CB CYS A 50 8.007 14.316 -6.433 1.00 2.12 C ATOM 789 SG CYS A 50 7.223 15.932 -6.627 1.00 35.04 S ATOM 0 H CYS A 50 10.218 12.639 -5.181 1.00 53.22 H new ATOM 0 HA CYS A 50 10.007 14.960 -6.883 1.00 14.23 H new ATOM 0 HB2 CYS A 50 7.864 13.744 -7.350 1.00 2.12 H new ATOM 0 HB3 CYS A 50 7.499 13.773 -5.636 1.00 2.12 H new ATOM 0 HG CYS A 50 5.961 15.773 -6.896 1.00 35.04 H new ATOM 795 N GLY A 51 9.633 14.258 -3.696 1.00 2.25 N ATOM 796 CA GLY A 51 9.811 14.795 -2.363 1.00 35.41 C ATOM 797 C GLY A 51 8.503 14.893 -1.606 1.00 2.33 C ATOM 798 O GLY A 51 8.181 15.936 -1.040 1.00 12.01 O ATOM 0 H GLY A 51 9.432 13.259 -3.732 1.00 2.25 H new ATOM 0 HA2 GLY A 51 10.504 14.162 -1.808 1.00 35.41 H new ATOM 0 HA3 GLY A 51 10.265 15.784 -2.429 1.00 35.41 H new ATOM 802 N THR A 52 7.751 13.797 -1.596 1.00 11.33 N ATOM 803 CA THR A 52 6.462 13.747 -0.912 1.00 1.52 C ATOM 804 C THR A 52 6.640 13.835 0.607 1.00 40.31 C ATOM 805 O THR A 52 5.723 14.231 1.326 1.00 65.33 O ATOM 806 CB THR A 52 5.709 12.447 -1.278 1.00 75.31 C ATOM 807 OG1 THR A 52 5.716 12.282 -2.703 1.00 61.54 O ATOM 808 CG2 THR A 52 4.269 12.480 -0.780 1.00 60.10 C ATOM 0 H THR A 52 8.014 12.926 -2.057 1.00 11.33 H new ATOM 0 HA THR A 52 5.875 14.605 -1.240 1.00 1.52 H new ATOM 0 HB THR A 52 6.216 11.611 -0.797 1.00 75.31 H new ATOM 0 HG1 THR A 52 5.241 11.458 -2.939 1.00 61.54 H new ATOM 0 HG21 THR A 52 3.768 11.551 -1.054 1.00 60.10 H new ATOM 0 HG22 THR A 52 4.261 12.590 0.304 1.00 60.10 H new ATOM 0 HG23 THR A 52 3.746 13.322 -1.234 1.00 60.10 H new ATOM 816 N SER A 53 7.842 13.478 1.074 1.00 42.34 N ATOM 817 CA SER A 53 8.191 13.520 2.495 1.00 4.24 C ATOM 818 C SER A 53 7.498 12.400 3.266 1.00 62.33 C ATOM 819 O SER A 53 6.514 11.822 2.808 1.00 3.33 O ATOM 820 CB SER A 53 7.849 14.888 3.107 1.00 73.24 C ATOM 821 OG SER A 53 8.236 14.962 4.472 1.00 54.00 O ATOM 0 H SER A 53 8.600 13.152 0.475 1.00 42.34 H new ATOM 0 HA SER A 53 9.268 13.370 2.574 1.00 4.24 H new ATOM 0 HB2 SER A 53 8.350 15.675 2.543 1.00 73.24 H new ATOM 0 HB3 SER A 53 6.777 15.068 3.022 1.00 73.24 H new ATOM 0 HG SER A 53 8.006 15.845 4.830 1.00 54.00 H new ATOM 827 N VAL A 54 8.034 12.086 4.436 1.00 25.42 N ATOM 828 CA VAL A 54 7.469 11.046 5.287 1.00 25.21 C ATOM 829 C VAL A 54 6.751 11.659 6.485 1.00 60.44 C ATOM 830 O VAL A 54 6.189 10.948 7.315 1.00 15.43 O ATOM 831 CB VAL A 54 8.554 10.069 5.787 1.00 52.42 C ATOM 832 CG1 VAL A 54 9.181 9.325 4.620 1.00 71.31 C ATOM 833 CG2 VAL A 54 9.625 10.802 6.584 1.00 3.33 C ATOM 0 H VAL A 54 8.864 12.538 4.820 1.00 25.42 H new ATOM 0 HA VAL A 54 6.754 10.490 4.681 1.00 25.21 H new ATOM 0 HB VAL A 54 8.075 9.345 6.446 1.00 52.42 H new ATOM 0 HG11 VAL A 54 9.944 8.641 4.992 1.00 71.31 H new ATOM 0 HG12 VAL A 54 8.412 8.760 4.094 1.00 71.31 H new ATOM 0 HG13 VAL A 54 9.638 10.040 3.936 1.00 71.31 H new ATOM 0 HG21 VAL A 54 10.377 10.090 6.924 1.00 3.33 H new ATOM 0 HG22 VAL A 54 10.097 11.554 5.952 1.00 3.33 H new ATOM 0 HG23 VAL A 54 9.168 11.287 7.447 1.00 3.33 H new ATOM 843 N ASN A 55 6.777 12.985 6.571 1.00 64.50 N ATOM 844 CA ASN A 55 6.114 13.691 7.662 1.00 53.01 C ATOM 845 C ASN A 55 4.763 14.228 7.211 1.00 15.01 C ATOM 846 O ASN A 55 3.832 14.348 8.007 1.00 34.12 O ATOM 847 CB ASN A 55 6.997 14.833 8.182 1.00 22.45 C ATOM 848 CG ASN A 55 6.289 15.700 9.213 1.00 64.54 C ATOM 849 OD1 ASN A 55 6.245 15.367 10.399 1.00 72.22 O ATOM 850 ND2 ASN A 55 5.756 16.830 8.773 1.00 32.22 N ATOM 0 H ASN A 55 7.249 13.591 5.900 1.00 64.50 H new ATOM 0 HA ASN A 55 5.950 12.984 8.475 1.00 53.01 H new ATOM 0 HB2 ASN A 55 7.901 14.415 8.624 1.00 22.45 H new ATOM 0 HB3 ASN A 55 7.310 15.455 7.344 1.00 22.45 H new ATOM 0 HD21 ASN A 55 5.288 17.461 9.424 1.00 32.22 H new ATOM 0 HD22 ASN A 55 5.814 17.070 7.783 1.00 32.22 H new ATOM 857 N SER A 56 4.651 14.519 5.924 1.00 3.32 N ATOM 858 CA SER A 56 3.425 15.086 5.376 1.00 5.15 C ATOM 859 C SER A 56 2.451 13.972 4.995 1.00 3.33 C ATOM 860 O SER A 56 1.431 14.210 4.347 1.00 61.34 O ATOM 861 CB SER A 56 3.754 15.953 4.156 1.00 61.13 C ATOM 862 OG SER A 56 2.754 16.934 3.932 1.00 71.12 O ATOM 0 H SER A 56 5.392 14.373 5.239 1.00 3.32 H new ATOM 0 HA SER A 56 2.952 15.711 6.133 1.00 5.15 H new ATOM 0 HB2 SER A 56 4.717 16.441 4.304 1.00 61.13 H new ATOM 0 HB3 SER A 56 3.849 15.320 3.273 1.00 61.13 H new ATOM 0 HG SER A 56 2.993 17.472 3.148 1.00 71.12 H new ATOM 868 N MET A 57 2.769 12.757 5.418 1.00 34.14 N ATOM 869 CA MET A 57 1.950 11.597 5.117 1.00 70.42 C ATOM 870 C MET A 57 2.009 10.598 6.267 1.00 71.40 C ATOM 871 O MET A 57 3.089 10.289 6.774 1.00 41.10 O ATOM 872 CB MET A 57 2.430 10.929 3.826 1.00 74.35 C ATOM 873 CG MET A 57 1.644 9.681 3.453 1.00 32.33 C ATOM 874 SD MET A 57 2.324 8.834 2.012 1.00 65.44 S ATOM 875 CE MET A 57 3.967 8.441 2.606 1.00 10.00 C ATOM 0 H MET A 57 3.597 12.550 5.976 1.00 34.14 H new ATOM 0 HA MET A 57 0.919 11.926 4.984 1.00 70.42 H new ATOM 0 HB2 MET A 57 2.363 11.647 3.009 1.00 74.35 H new ATOM 0 HB3 MET A 57 3.482 10.666 3.933 1.00 74.35 H new ATOM 0 HG2 MET A 57 1.634 8.996 4.301 1.00 32.33 H new ATOM 0 HG3 MET A 57 0.608 9.955 3.253 1.00 32.33 H new ATOM 0 HE1 MET A 57 4.366 7.598 2.042 1.00 10.00 H new ATOM 0 HE2 MET A 57 4.618 9.306 2.475 1.00 10.00 H new ATOM 0 HE3 MET A 57 3.919 8.180 3.663 1.00 10.00 H new ATOM 885 N ALA A 58 0.855 10.112 6.688 1.00 71.33 N ATOM 886 CA ALA A 58 0.792 9.086 7.715 1.00 75.12 C ATOM 887 C ALA A 58 0.170 7.820 7.141 1.00 42.32 C ATOM 888 O ALA A 58 -0.759 7.883 6.331 1.00 11.12 O ATOM 889 CB ALA A 58 0.016 9.576 8.929 1.00 63.33 C ATOM 0 H ALA A 58 -0.053 10.412 6.334 1.00 71.33 H new ATOM 0 HA ALA A 58 1.805 8.858 8.046 1.00 75.12 H new ATOM 0 HB1 ALA A 58 -0.016 8.789 9.682 1.00 63.33 H new ATOM 0 HB2 ALA A 58 0.508 10.456 9.344 1.00 63.33 H new ATOM 0 HB3 ALA A 58 -1.000 9.835 8.631 1.00 63.33 H new ATOM 895 N LEU A 59 0.690 6.674 7.549 1.00 73.41 N ATOM 896 CA LEU A 59 0.258 5.404 6.993 1.00 35.24 C ATOM 897 C LEU A 59 -0.616 4.649 7.982 1.00 25.44 C ATOM 898 O LEU A 59 -0.113 3.960 8.873 1.00 11.54 O ATOM 899 CB LEU A 59 1.470 4.552 6.606 1.00 14.24 C ATOM 900 CG LEU A 59 2.412 5.182 5.574 1.00 15.25 C ATOM 901 CD1 LEU A 59 3.598 4.271 5.304 1.00 15.34 C ATOM 902 CD2 LEU A 59 1.668 5.485 4.281 1.00 64.22 C ATOM 0 H LEU A 59 1.413 6.598 8.264 1.00 73.41 H new ATOM 0 HA LEU A 59 -0.331 5.608 6.099 1.00 35.24 H new ATOM 0 HB2 LEU A 59 2.041 4.332 7.508 1.00 14.24 H new ATOM 0 HB3 LEU A 59 1.113 3.600 6.214 1.00 14.24 H new ATOM 0 HG LEU A 59 2.786 6.121 5.983 1.00 15.25 H new ATOM 0 HD11 LEU A 59 4.254 4.737 4.569 1.00 15.34 H new ATOM 0 HD12 LEU A 59 4.149 4.107 6.230 1.00 15.34 H new ATOM 0 HD13 LEU A 59 3.242 3.315 4.919 1.00 15.34 H new ATOM 0 HD21 LEU A 59 2.355 5.932 3.562 1.00 64.22 H new ATOM 0 HD22 LEU A 59 1.262 4.561 3.869 1.00 64.22 H new ATOM 0 HD23 LEU A 59 0.853 6.180 4.484 1.00 64.22 H new ATOM 914 N GLU A 60 -1.921 4.797 7.837 1.00 61.14 N ATOM 915 CA GLU A 60 -2.857 4.075 8.678 1.00 2.03 C ATOM 916 C GLU A 60 -3.017 2.644 8.181 1.00 30.05 C ATOM 917 O GLU A 60 -3.877 2.353 7.343 1.00 61.02 O ATOM 918 CB GLU A 60 -4.209 4.785 8.709 1.00 52.23 C ATOM 919 CG GLU A 60 -4.179 6.130 9.411 1.00 32.11 C ATOM 920 CD GLU A 60 -3.922 6.004 10.898 1.00 52.43 C ATOM 921 OE1 GLU A 60 -4.881 5.726 11.649 1.00 12.41 O ATOM 922 OE2 GLU A 60 -2.765 6.185 11.325 1.00 50.51 O ATOM 0 H GLU A 60 -2.355 5.409 7.146 1.00 61.14 H new ATOM 0 HA GLU A 60 -2.461 4.049 9.693 1.00 2.03 H new ATOM 0 HB2 GLU A 60 -4.558 4.927 7.686 1.00 52.23 H new ATOM 0 HB3 GLU A 60 -4.935 4.142 9.207 1.00 52.23 H new ATOM 0 HG2 GLU A 60 -3.404 6.752 8.963 1.00 32.11 H new ATOM 0 HG3 GLU A 60 -5.129 6.640 9.252 1.00 32.11 H new ATOM 929 N LEU A 61 -2.153 1.768 8.669 1.00 22.24 N ATOM 930 CA LEU A 61 -2.194 0.360 8.307 1.00 41.55 C ATOM 931 C LEU A 61 -3.277 -0.357 9.103 1.00 21.13 C ATOM 932 O LEU A 61 -3.116 -0.629 10.298 1.00 4.41 O ATOM 933 CB LEU A 61 -0.831 -0.294 8.554 1.00 64.11 C ATOM 934 CG LEU A 61 -0.729 -1.768 8.151 1.00 61.34 C ATOM 935 CD1 LEU A 61 -0.915 -1.926 6.650 1.00 3.53 C ATOM 936 CD2 LEU A 61 0.611 -2.348 8.585 1.00 14.22 C ATOM 0 H LEU A 61 -1.408 2.010 9.323 1.00 22.24 H new ATOM 0 HA LEU A 61 -2.430 0.280 7.246 1.00 41.55 H new ATOM 0 HB2 LEU A 61 -0.073 0.268 8.009 1.00 64.11 H new ATOM 0 HB3 LEU A 61 -0.591 -0.207 9.614 1.00 64.11 H new ATOM 0 HG LEU A 61 -1.523 -2.318 8.656 1.00 61.34 H new ATOM 0 HD11 LEU A 61 -0.839 -2.980 6.383 1.00 3.53 H new ATOM 0 HD12 LEU A 61 -1.897 -1.549 6.363 1.00 3.53 H new ATOM 0 HD13 LEU A 61 -0.143 -1.363 6.126 1.00 3.53 H new ATOM 0 HD21 LEU A 61 0.666 -3.396 8.291 1.00 14.22 H new ATOM 0 HD22 LEU A 61 1.419 -1.794 8.108 1.00 14.22 H new ATOM 0 HD23 LEU A 61 0.708 -2.270 9.668 1.00 14.22 H new ATOM 948 N TYR A 62 -4.387 -0.644 8.444 1.00 53.03 N ATOM 949 CA TYR A 62 -5.500 -1.304 9.099 1.00 42.31 C ATOM 950 C TYR A 62 -5.590 -2.762 8.688 1.00 44.11 C ATOM 951 O TYR A 62 -5.394 -3.104 7.518 1.00 33.42 O ATOM 952 CB TYR A 62 -6.818 -0.600 8.770 1.00 32.03 C ATOM 953 CG TYR A 62 -6.909 0.814 9.295 1.00 54.33 C ATOM 954 CD1 TYR A 62 -6.481 1.126 10.578 1.00 33.52 C ATOM 955 CD2 TYR A 62 -7.420 1.834 8.506 1.00 42.42 C ATOM 956 CE1 TYR A 62 -6.561 2.416 11.062 1.00 1.41 C ATOM 957 CE2 TYR A 62 -7.501 3.125 8.981 1.00 53.21 C ATOM 958 CZ TYR A 62 -7.070 3.411 10.258 1.00 3.24 C ATOM 959 OH TYR A 62 -7.151 4.700 10.731 1.00 35.11 O ATOM 0 H TYR A 62 -4.540 -0.430 7.458 1.00 53.03 H new ATOM 0 HA TYR A 62 -5.324 -1.252 10.173 1.00 42.31 H new ATOM 0 HB2 TYR A 62 -6.949 -0.584 7.688 1.00 32.03 H new ATOM 0 HB3 TYR A 62 -7.642 -1.183 9.182 1.00 32.03 H new ATOM 0 HD1 TYR A 62 -6.079 0.346 11.208 1.00 33.52 H new ATOM 0 HD2 TYR A 62 -7.759 1.613 7.505 1.00 42.42 H new ATOM 0 HE1 TYR A 62 -6.227 2.643 12.064 1.00 1.41 H new ATOM 0 HE2 TYR A 62 -7.901 3.909 8.355 1.00 53.21 H new ATOM 0 HH TYR A 62 -6.351 4.906 11.258 1.00 35.11 H new ATOM 969 N ASP A 63 -5.890 -3.614 9.656 1.00 41.52 N ATOM 970 CA ASP A 63 -6.090 -5.032 9.401 1.00 22.23 C ATOM 971 C ASP A 63 -7.439 -5.226 8.723 1.00 33.54 C ATOM 972 O ASP A 63 -8.471 -5.355 9.387 1.00 2.41 O ATOM 973 CB ASP A 63 -6.017 -5.828 10.713 1.00 61.11 C ATOM 974 CG ASP A 63 -6.032 -7.330 10.500 1.00 30.45 C ATOM 975 OD1 ASP A 63 -7.134 -7.912 10.384 1.00 53.13 O ATOM 976 OD2 ASP A 63 -4.944 -7.942 10.493 1.00 15.12 O ATOM 0 H ASP A 63 -6.001 -3.345 10.634 1.00 41.52 H new ATOM 0 HA ASP A 63 -5.302 -5.402 8.745 1.00 22.23 H new ATOM 0 HB2 ASP A 63 -5.108 -5.552 11.248 1.00 61.11 H new ATOM 0 HB3 ASP A 63 -6.858 -5.549 11.348 1.00 61.11 H new ATOM 981 N ASP A 64 -7.422 -5.154 7.391 1.00 30.32 N ATOM 982 CA ASP A 64 -8.631 -5.253 6.568 1.00 75.32 C ATOM 983 C ASP A 64 -9.639 -4.161 6.961 1.00 1.15 C ATOM 984 O ASP A 64 -10.850 -4.341 6.862 1.00 71.33 O ATOM 985 CB ASP A 64 -9.246 -6.652 6.687 1.00 30.43 C ATOM 986 CG ASP A 64 -10.349 -6.894 5.676 1.00 40.40 C ATOM 987 OD1 ASP A 64 -10.072 -6.817 4.457 1.00 35.40 O ATOM 988 OD2 ASP A 64 -11.497 -7.161 6.096 1.00 61.21 O ATOM 0 H ASP A 64 -6.567 -5.025 6.850 1.00 30.32 H new ATOM 0 HA ASP A 64 -8.360 -5.096 5.524 1.00 75.32 H new ATOM 0 HB2 ASP A 64 -8.465 -7.400 6.553 1.00 30.43 H new ATOM 0 HB3 ASP A 64 -9.645 -6.785 7.693 1.00 30.43 H new ATOM 993 N SER A 65 -9.101 -3.023 7.407 1.00 11.11 N ATOM 994 CA SER A 65 -9.891 -1.844 7.790 1.00 12.00 C ATOM 995 C SER A 65 -10.699 -2.059 9.073 1.00 73.33 C ATOM 996 O SER A 65 -11.409 -1.157 9.520 1.00 15.44 O ATOM 997 CB SER A 65 -10.812 -1.410 6.649 1.00 40.24 C ATOM 998 OG SER A 65 -10.055 -0.973 5.534 1.00 55.40 O ATOM 0 H SER A 65 -8.095 -2.890 7.514 1.00 11.11 H new ATOM 0 HA SER A 65 -9.175 -1.048 7.994 1.00 12.00 H new ATOM 0 HB2 SER A 65 -11.453 -2.241 6.356 1.00 40.24 H new ATOM 0 HB3 SER A 65 -11.466 -0.607 6.988 1.00 40.24 H new ATOM 0 HG SER A 65 -10.617 -0.417 4.955 1.00 55.40 H new ATOM 1004 N GLY A 66 -10.577 -3.234 9.673 1.00 10.04 N ATOM 1005 CA GLY A 66 -11.272 -3.497 10.913 1.00 14.53 C ATOM 1006 C GLY A 66 -10.455 -3.068 12.114 1.00 13.25 C ATOM 1007 O GLY A 66 -10.810 -2.121 12.817 1.00 44.44 O ATOM 0 H GLY A 66 -10.011 -4.007 9.324 1.00 10.04 H new ATOM 0 HA2 GLY A 66 -12.226 -2.970 10.915 1.00 14.53 H new ATOM 0 HA3 GLY A 66 -11.496 -4.561 10.986 1.00 14.53 H new ATOM 1011 N SER A 67 -9.353 -3.763 12.340 1.00 50.34 N ATOM 1012 CA SER A 67 -8.458 -3.446 13.439 1.00 13.43 C ATOM 1013 C SER A 67 -7.305 -2.581 12.935 1.00 1.43 C ATOM 1014 O SER A 67 -7.154 -2.391 11.729 1.00 5.13 O ATOM 1015 CB SER A 67 -7.925 -4.742 14.050 1.00 43.21 C ATOM 1016 OG SER A 67 -8.986 -5.637 14.339 1.00 41.44 O ATOM 0 H SER A 67 -9.056 -4.556 11.772 1.00 50.34 H new ATOM 0 HA SER A 67 -9.001 -2.890 14.204 1.00 13.43 H new ATOM 0 HB2 SER A 67 -7.224 -5.213 13.361 1.00 43.21 H new ATOM 0 HB3 SER A 67 -7.373 -4.519 14.963 1.00 43.21 H new ATOM 0 HG SER A 67 -8.623 -6.460 14.727 1.00 41.44 H new ATOM 1022 N LYS A 68 -6.494 -2.059 13.841 1.00 53.12 N ATOM 1023 CA LYS A 68 -5.350 -1.252 13.442 1.00 62.21 C ATOM 1024 C LYS A 68 -4.050 -1.937 13.845 1.00 41.34 C ATOM 1025 O LYS A 68 -3.860 -2.311 15.003 1.00 73.21 O ATOM 1026 CB LYS A 68 -5.438 0.166 14.023 1.00 1.52 C ATOM 1027 CG LYS A 68 -5.622 0.233 15.532 1.00 54.34 C ATOM 1028 CD LYS A 68 -5.768 1.674 15.993 1.00 71.03 C ATOM 1029 CE LYS A 68 -5.869 1.783 17.505 1.00 63.31 C ATOM 1030 NZ LYS A 68 -6.005 3.197 17.948 1.00 32.33 N ATOM 0 H LYS A 68 -6.604 -2.177 14.848 1.00 53.12 H new ATOM 0 HA LYS A 68 -5.362 -1.157 12.356 1.00 62.21 H new ATOM 0 HB2 LYS A 68 -4.530 0.708 13.759 1.00 1.52 H new ATOM 0 HB3 LYS A 68 -6.269 0.686 13.547 1.00 1.52 H new ATOM 0 HG2 LYS A 68 -6.505 -0.338 15.821 1.00 54.34 H new ATOM 0 HG3 LYS A 68 -4.768 -0.228 16.028 1.00 54.34 H new ATOM 0 HD2 LYS A 68 -4.913 2.254 15.644 1.00 71.03 H new ATOM 0 HD3 LYS A 68 -6.657 2.111 15.538 1.00 71.03 H new ATOM 0 HE2 LYS A 68 -6.727 1.208 17.855 1.00 63.31 H new ATOM 0 HE3 LYS A 68 -4.983 1.342 17.961 1.00 63.31 H new ATOM 0 HZ1 LYS A 68 -6.071 3.231 18.985 1.00 32.33 H new ATOM 0 HZ2 LYS A 68 -5.175 3.740 17.636 1.00 32.33 H new ATOM 0 HZ3 LYS A 68 -6.864 3.610 17.533 1.00 32.33 H new ATOM 1044 N VAL A 69 -3.165 -2.115 12.871 1.00 44.43 N ATOM 1045 CA VAL A 69 -1.938 -2.874 13.080 1.00 20.21 C ATOM 1046 C VAL A 69 -0.711 -2.053 12.693 1.00 23.24 C ATOM 1047 O VAL A 69 0.379 -2.592 12.501 1.00 2.50 O ATOM 1048 CB VAL A 69 -1.959 -4.194 12.273 1.00 74.01 C ATOM 1049 CG1 VAL A 69 -3.072 -5.104 12.768 1.00 54.22 C ATOM 1050 CG2 VAL A 69 -2.120 -3.921 10.782 1.00 33.12 C ATOM 0 H VAL A 69 -3.275 -1.743 11.927 1.00 44.43 H new ATOM 0 HA VAL A 69 -1.879 -3.112 14.142 1.00 20.21 H new ATOM 0 HB VAL A 69 -1.004 -4.697 12.425 1.00 74.01 H new ATOM 0 HG11 VAL A 69 -3.072 -6.027 12.189 1.00 54.22 H new ATOM 0 HG12 VAL A 69 -2.911 -5.336 13.821 1.00 54.22 H new ATOM 0 HG13 VAL A 69 -4.032 -4.602 12.650 1.00 54.22 H new ATOM 0 HG21 VAL A 69 -2.132 -4.866 10.238 1.00 33.12 H new ATOM 0 HG22 VAL A 69 -3.056 -3.391 10.608 1.00 33.12 H new ATOM 0 HG23 VAL A 69 -1.287 -3.311 10.432 1.00 33.12 H new ATOM 1060 N ALA A 70 -0.892 -0.743 12.597 1.00 53.52 N ATOM 1061 CA ALA A 70 0.190 0.151 12.220 1.00 51.22 C ATOM 1062 C ALA A 70 1.112 0.424 13.402 1.00 21.45 C ATOM 1063 O ALA A 70 0.869 1.334 14.195 1.00 14.25 O ATOM 1064 CB ALA A 70 -0.367 1.455 11.664 1.00 50.03 C ATOM 0 H ALA A 70 -1.781 -0.276 12.776 1.00 53.52 H new ATOM 0 HA ALA A 70 0.777 -0.337 11.442 1.00 51.22 H new ATOM 0 HB1 ALA A 70 0.456 2.113 11.386 1.00 50.03 H new ATOM 0 HB2 ALA A 70 -0.976 1.245 10.785 1.00 50.03 H new ATOM 0 HB3 ALA A 70 -0.981 1.941 12.422 1.00 50.03 H new ATOM 1070 N VAL A 71 2.149 -0.388 13.540 1.00 75.41 N ATOM 1071 CA VAL A 71 3.126 -0.194 14.604 1.00 32.13 C ATOM 1072 C VAL A 71 4.399 0.462 14.064 1.00 61.32 C ATOM 1073 O VAL A 71 4.960 1.356 14.701 1.00 60.10 O ATOM 1074 CB VAL A 71 3.467 -1.527 15.320 1.00 25.03 C ATOM 1075 CG1 VAL A 71 3.962 -2.577 14.335 1.00 32.32 C ATOM 1076 CG2 VAL A 71 4.492 -1.300 16.420 1.00 55.23 C ATOM 0 H VAL A 71 2.337 -1.185 12.932 1.00 75.41 H new ATOM 0 HA VAL A 71 2.675 0.473 15.339 1.00 32.13 H new ATOM 0 HB VAL A 71 2.550 -1.902 15.773 1.00 25.03 H new ATOM 0 HG11 VAL A 71 4.192 -3.498 14.870 1.00 32.32 H new ATOM 0 HG12 VAL A 71 3.189 -2.772 13.592 1.00 32.32 H new ATOM 0 HG13 VAL A 71 4.860 -2.213 13.836 1.00 32.32 H new ATOM 0 HG21 VAL A 71 4.717 -2.248 16.909 1.00 55.23 H new ATOM 0 HG22 VAL A 71 5.405 -0.889 15.988 1.00 55.23 H new ATOM 0 HG23 VAL A 71 4.090 -0.600 17.153 1.00 55.23 H new ATOM 1086 N LEU A 72 4.827 0.027 12.876 1.00 13.24 N ATOM 1087 CA LEU A 72 6.042 0.539 12.238 1.00 22.31 C ATOM 1088 C LEU A 72 7.251 0.405 13.164 1.00 11.45 C ATOM 1089 O LEU A 72 7.785 1.393 13.663 1.00 31.04 O ATOM 1090 CB LEU A 72 5.876 2.000 11.785 1.00 72.13 C ATOM 1091 CG LEU A 72 5.001 2.227 10.541 1.00 62.34 C ATOM 1092 CD1 LEU A 72 5.451 1.335 9.393 1.00 65.12 C ATOM 1093 CD2 LEU A 72 3.528 2.002 10.850 1.00 62.41 C ATOM 0 H LEU A 72 4.343 -0.687 12.331 1.00 13.24 H new ATOM 0 HA LEU A 72 6.216 -0.070 11.351 1.00 22.31 H new ATOM 0 HB2 LEU A 72 5.451 2.569 12.612 1.00 72.13 H new ATOM 0 HB3 LEU A 72 6.865 2.413 11.589 1.00 72.13 H new ATOM 0 HG LEU A 72 5.123 3.267 10.237 1.00 62.34 H new ATOM 0 HD11 LEU A 72 4.818 1.513 8.524 1.00 65.12 H new ATOM 0 HD12 LEU A 72 6.487 1.562 9.140 1.00 65.12 H new ATOM 0 HD13 LEU A 72 5.372 0.290 9.692 1.00 65.12 H new ATOM 0 HD21 LEU A 72 2.937 2.171 9.949 1.00 62.41 H new ATOM 0 HD22 LEU A 72 3.381 0.978 11.194 1.00 62.41 H new ATOM 0 HD23 LEU A 72 3.209 2.696 11.628 1.00 62.41 H new ATOM 1105 N SER A 73 7.647 -0.830 13.413 1.00 20.24 N ATOM 1106 CA SER A 73 8.824 -1.117 14.225 1.00 63.31 C ATOM 1107 C SER A 73 9.648 -2.181 13.520 1.00 61.24 C ATOM 1108 O SER A 73 10.652 -2.675 14.029 1.00 63.45 O ATOM 1109 CB SER A 73 8.390 -1.594 15.619 1.00 54.14 C ATOM 1110 OG SER A 73 9.487 -1.691 16.514 1.00 72.21 O ATOM 0 H SER A 73 7.168 -1.660 13.063 1.00 20.24 H new ATOM 0 HA SER A 73 9.428 -0.218 14.350 1.00 63.31 H new ATOM 0 HB2 SER A 73 7.651 -0.903 16.025 1.00 54.14 H new ATOM 0 HB3 SER A 73 7.904 -2.566 15.534 1.00 54.14 H new ATOM 0 HG SER A 73 10.271 -2.032 16.035 1.00 72.21 H new ATOM 1116 N ASP A 74 9.205 -2.502 12.321 1.00 23.43 N ATOM 1117 CA ASP A 74 9.746 -3.599 11.550 1.00 1.31 C ATOM 1118 C ASP A 74 9.700 -3.251 10.072 1.00 62.12 C ATOM 1119 O ASP A 74 9.811 -4.117 9.210 1.00 44.11 O ATOM 1120 CB ASP A 74 8.928 -4.864 11.821 1.00 63.50 C ATOM 1121 CG ASP A 74 7.448 -4.688 11.506 1.00 5.21 C ATOM 1122 OD1 ASP A 74 6.847 -3.676 11.956 1.00 55.43 O ATOM 1123 OD2 ASP A 74 6.880 -5.572 10.830 1.00 15.52 O ATOM 0 H ASP A 74 8.451 -2.002 11.851 1.00 23.43 H new ATOM 0 HA ASP A 74 10.782 -3.777 11.840 1.00 1.31 H new ATOM 0 HB2 ASP A 74 9.327 -5.684 11.224 1.00 63.50 H new ATOM 0 HB3 ASP A 74 9.041 -5.147 12.867 1.00 63.50 H new ATOM 1128 N ASP A 75 9.584 -1.955 9.796 1.00 51.13 N ATOM 1129 CA ASP A 75 9.417 -1.456 8.433 1.00 54.31 C ATOM 1130 C ASP A 75 10.690 -1.651 7.616 1.00 54.15 C ATOM 1131 O ASP A 75 10.667 -1.595 6.386 1.00 54.44 O ATOM 1132 CB ASP A 75 9.037 0.027 8.453 1.00 73.55 C ATOM 1133 CG ASP A 75 10.184 0.920 8.887 1.00 71.35 C ATOM 1134 OD1 ASP A 75 10.646 0.784 10.035 1.00 25.21 O ATOM 1135 OD2 ASP A 75 10.627 1.760 8.077 1.00 4.03 O ATOM 0 H ASP A 75 9.603 -1.224 10.507 1.00 51.13 H new ATOM 0 HA ASP A 75 8.616 -2.027 7.964 1.00 54.31 H new ATOM 0 HB2 ASP A 75 8.705 0.326 7.459 1.00 73.55 H new ATOM 0 HB3 ASP A 75 8.193 0.173 9.128 1.00 73.55 H new ATOM 1140 N SER A 76 11.798 -1.879 8.307 1.00 63.43 N ATOM 1141 CA SER A 76 13.066 -2.154 7.652 1.00 15.11 C ATOM 1142 C SER A 76 13.131 -3.612 7.188 1.00 22.21 C ATOM 1143 O SER A 76 14.150 -4.064 6.659 1.00 72.12 O ATOM 1144 CB SER A 76 14.220 -1.858 8.610 1.00 33.01 C ATOM 1145 OG SER A 76 14.116 -0.549 9.151 1.00 61.43 O ATOM 0 H SER A 76 11.843 -1.879 9.326 1.00 63.43 H new ATOM 0 HA SER A 76 13.151 -1.510 6.776 1.00 15.11 H new ATOM 0 HB2 SER A 76 14.222 -2.589 9.418 1.00 33.01 H new ATOM 0 HB3 SER A 76 15.169 -1.962 8.084 1.00 33.01 H new ATOM 0 HG SER A 76 14.865 -0.387 9.761 1.00 61.43 H new ATOM 1151 N ARG A 77 12.041 -4.342 7.396 1.00 51.11 N ATOM 1152 CA ARG A 77 11.955 -5.741 7.008 1.00 54.24 C ATOM 1153 C ARG A 77 10.850 -5.923 5.972 1.00 1.33 C ATOM 1154 O ARG A 77 9.951 -5.089 5.870 1.00 20.05 O ATOM 1155 CB ARG A 77 11.666 -6.613 8.235 1.00 42.53 C ATOM 1156 CG ARG A 77 12.667 -6.429 9.365 1.00 4.35 C ATOM 1157 CD ARG A 77 14.060 -6.887 8.965 1.00 33.13 C ATOM 1158 NE ARG A 77 14.120 -8.326 8.735 1.00 43.41 N ATOM 1159 CZ ARG A 77 15.168 -8.958 8.215 1.00 1.20 C ATOM 1160 NH1 ARG A 77 16.242 -8.275 7.835 1.00 45.44 N ATOM 1161 NH2 ARG A 77 15.131 -10.275 8.078 1.00 12.23 N ATOM 0 H ARG A 77 11.196 -3.980 7.837 1.00 51.11 H new ATOM 0 HA ARG A 77 12.907 -6.046 6.575 1.00 54.24 H new ATOM 0 HB2 ARG A 77 10.667 -6.384 8.606 1.00 42.53 H new ATOM 0 HB3 ARG A 77 11.661 -7.660 7.933 1.00 42.53 H new ATOM 0 HG2 ARG A 77 12.699 -5.379 9.655 1.00 4.35 H new ATOM 0 HG3 ARG A 77 12.336 -6.991 10.239 1.00 4.35 H new ATOM 0 HD2 ARG A 77 14.368 -6.363 8.060 1.00 33.13 H new ATOM 0 HD3 ARG A 77 14.769 -6.616 9.747 1.00 33.13 H new ATOM 0 HE ARG A 77 13.305 -8.884 8.990 1.00 43.41 H new ATOM 0 HH11 ARG A 77 16.265 -7.261 7.942 1.00 45.44 H new ATOM 0 HH12 ARG A 77 17.043 -8.765 7.437 1.00 45.44 H new ATOM 0 HH21 ARG A 77 14.304 -10.795 8.370 1.00 12.23 H new ATOM 0 HH22 ARG A 77 15.930 -10.769 7.680 1.00 12.23 H new ATOM 1175 N PRO A 78 10.917 -6.992 5.166 1.00 21.31 N ATOM 1176 CA PRO A 78 9.854 -7.330 4.220 1.00 0.30 C ATOM 1177 C PRO A 78 8.624 -7.874 4.939 1.00 62.41 C ATOM 1178 O PRO A 78 8.691 -8.914 5.600 1.00 54.20 O ATOM 1179 CB PRO A 78 10.478 -8.416 3.331 1.00 54.25 C ATOM 1180 CG PRO A 78 11.929 -8.442 3.678 1.00 73.51 C ATOM 1181 CD PRO A 78 12.027 -7.944 5.089 1.00 62.03 C ATOM 0 HA PRO A 78 9.513 -6.461 3.657 1.00 0.30 H new ATOM 0 HB2 PRO A 78 10.015 -9.385 3.515 1.00 54.25 H new ATOM 0 HB3 PRO A 78 10.333 -8.188 2.275 1.00 54.25 H new ATOM 0 HG2 PRO A 78 12.333 -9.451 3.592 1.00 73.51 H new ATOM 0 HG3 PRO A 78 12.503 -7.810 3.001 1.00 73.51 H new ATOM 0 HD2 PRO A 78 11.920 -8.752 5.813 1.00 62.03 H new ATOM 0 HD3 PRO A 78 12.987 -7.465 5.285 1.00 62.03 H new ATOM 1189 N LEU A 79 7.505 -7.173 4.809 1.00 52.45 N ATOM 1190 CA LEU A 79 6.272 -7.553 5.496 1.00 51.15 C ATOM 1191 C LEU A 79 5.818 -8.952 5.080 1.00 2.51 C ATOM 1192 O LEU A 79 5.332 -9.728 5.901 1.00 15.14 O ATOM 1193 CB LEU A 79 5.167 -6.536 5.202 1.00 12.34 C ATOM 1194 CG LEU A 79 5.484 -5.093 5.604 1.00 22.44 C ATOM 1195 CD1 LEU A 79 4.323 -4.177 5.245 1.00 61.13 C ATOM 1196 CD2 LEU A 79 5.792 -5.004 7.093 1.00 14.32 C ATOM 0 H LEU A 79 7.423 -6.335 4.233 1.00 52.45 H new ATOM 0 HA LEU A 79 6.473 -7.564 6.567 1.00 51.15 H new ATOM 0 HB2 LEU A 79 4.949 -6.559 4.134 1.00 12.34 H new ATOM 0 HB3 LEU A 79 4.260 -6.849 5.719 1.00 12.34 H new ATOM 0 HG LEU A 79 6.367 -4.769 5.053 1.00 22.44 H new ATOM 0 HD11 LEU A 79 4.563 -3.154 5.537 1.00 61.13 H new ATOM 0 HD12 LEU A 79 4.148 -4.216 4.170 1.00 61.13 H new ATOM 0 HD13 LEU A 79 3.426 -4.503 5.771 1.00 61.13 H new ATOM 0 HD21 LEU A 79 6.014 -3.970 7.357 1.00 14.32 H new ATOM 0 HD22 LEU A 79 4.929 -5.347 7.664 1.00 14.32 H new ATOM 0 HD23 LEU A 79 6.653 -5.631 7.325 1.00 14.32 H new ATOM 1208 N GLY A 80 6.002 -9.271 3.804 1.00 12.43 N ATOM 1209 CA GLY A 80 5.597 -10.565 3.284 1.00 51.13 C ATOM 1210 C GLY A 80 6.579 -11.674 3.618 1.00 45.55 C ATOM 1211 O GLY A 80 6.342 -12.839 3.295 1.00 21.55 O ATOM 0 H GLY A 80 6.428 -8.651 3.115 1.00 12.43 H new ATOM 0 HA2 GLY A 80 4.617 -10.822 3.687 1.00 51.13 H new ATOM 0 HA3 GLY A 80 5.489 -10.497 2.202 1.00 51.13 H new ATOM 1215 N PHE A 81 7.686 -11.319 4.256 1.00 23.21 N ATOM 1216 CA PHE A 81 8.653 -12.314 4.690 1.00 71.23 C ATOM 1217 C PHE A 81 8.139 -13.012 5.940 1.00 54.02 C ATOM 1218 O PHE A 81 8.211 -14.235 6.062 1.00 35.34 O ATOM 1219 CB PHE A 81 10.014 -11.665 4.959 1.00 35.02 C ATOM 1220 CG PHE A 81 11.085 -12.637 5.375 1.00 42.21 C ATOM 1221 CD1 PHE A 81 11.753 -13.400 4.431 1.00 34.42 C ATOM 1222 CD2 PHE A 81 11.425 -12.783 6.711 1.00 54.12 C ATOM 1223 CE1 PHE A 81 12.739 -14.290 4.810 1.00 45.13 C ATOM 1224 CE2 PHE A 81 12.409 -13.673 7.096 1.00 72.14 C ATOM 1225 CZ PHE A 81 13.067 -14.427 6.144 1.00 41.34 C ATOM 0 H PHE A 81 7.934 -10.356 4.483 1.00 23.21 H new ATOM 0 HA PHE A 81 8.783 -13.051 3.897 1.00 71.23 H new ATOM 0 HB2 PHE A 81 10.341 -11.144 4.059 1.00 35.02 H new ATOM 0 HB3 PHE A 81 9.898 -10.912 5.739 1.00 35.02 H new ATOM 0 HD1 PHE A 81 11.500 -13.298 3.386 1.00 34.42 H new ATOM 0 HD2 PHE A 81 10.915 -12.194 7.459 1.00 54.12 H new ATOM 0 HE1 PHE A 81 13.253 -14.878 4.064 1.00 45.13 H new ATOM 0 HE2 PHE A 81 12.663 -13.779 8.140 1.00 72.14 H new ATOM 0 HZ PHE A 81 13.837 -15.123 6.443 1.00 41.34 H new ATOM 1235 N PHE A 82 7.603 -12.220 6.860 1.00 64.53 N ATOM 1236 CA PHE A 82 7.001 -12.753 8.073 1.00 53.21 C ATOM 1237 C PHE A 82 5.525 -13.043 7.827 1.00 50.31 C ATOM 1238 O PHE A 82 5.061 -14.166 8.027 1.00 52.52 O ATOM 1239 CB PHE A 82 7.167 -11.764 9.230 1.00 75.11 C ATOM 1240 CG PHE A 82 6.521 -12.210 10.508 1.00 50.25 C ATOM 1241 CD1 PHE A 82 7.039 -13.275 11.226 1.00 40.23 C ATOM 1242 CD2 PHE A 82 5.401 -11.559 11.000 1.00 23.24 C ATOM 1243 CE1 PHE A 82 6.452 -13.682 12.408 1.00 32.31 C ATOM 1244 CE2 PHE A 82 4.809 -11.962 12.180 1.00 42.01 C ATOM 1245 CZ PHE A 82 5.335 -13.026 12.885 1.00 33.14 C ATOM 0 H PHE A 82 7.574 -11.203 6.788 1.00 64.53 H new ATOM 0 HA PHE A 82 7.505 -13.681 8.343 1.00 53.21 H new ATOM 0 HB2 PHE A 82 8.230 -11.604 9.408 1.00 75.11 H new ATOM 0 HB3 PHE A 82 6.745 -10.803 8.937 1.00 75.11 H new ATOM 0 HD1 PHE A 82 7.912 -13.793 10.857 1.00 40.23 H new ATOM 0 HD2 PHE A 82 4.986 -10.725 10.453 1.00 23.24 H new ATOM 0 HE1 PHE A 82 6.867 -14.513 12.959 1.00 32.31 H new ATOM 0 HE2 PHE A 82 3.936 -11.446 12.551 1.00 42.01 H new ATOM 0 HZ PHE A 82 4.873 -13.345 13.808 1.00 33.14 H new ATOM 1255 N SER A 83 4.813 -12.015 7.368 1.00 54.23 N ATOM 1256 CA SER A 83 3.388 -12.102 7.059 1.00 41.11 C ATOM 1257 C SER A 83 2.566 -12.543 8.273 1.00 74.11 C ATOM 1258 O SER A 83 2.341 -13.738 8.485 1.00 44.51 O ATOM 1259 CB SER A 83 3.138 -13.043 5.873 1.00 30.33 C ATOM 1260 OG SER A 83 1.768 -13.038 5.496 1.00 1.32 O ATOM 0 H SER A 83 5.212 -11.092 7.199 1.00 54.23 H new ATOM 0 HA SER A 83 3.060 -11.100 6.783 1.00 41.11 H new ATOM 0 HB2 SER A 83 3.752 -12.737 5.026 1.00 30.33 H new ATOM 0 HB3 SER A 83 3.442 -14.056 6.138 1.00 30.33 H new ATOM 0 HG SER A 83 1.635 -13.644 4.737 1.00 1.32 H new ATOM 1266 N PRO A 84 2.126 -11.584 9.105 1.00 14.03 N ATOM 1267 CA PRO A 84 1.188 -11.866 10.191 1.00 73.30 C ATOM 1268 C PRO A 84 -0.162 -12.279 9.621 1.00 55.23 C ATOM 1269 O PRO A 84 -0.750 -13.277 10.029 1.00 52.24 O ATOM 1270 CB PRO A 84 1.076 -10.530 10.944 1.00 41.22 C ATOM 1271 CG PRO A 84 2.216 -9.700 10.455 1.00 64.04 C ATOM 1272 CD PRO A 84 2.513 -10.170 9.060 1.00 1.24 C ATOM 0 HA PRO A 84 1.516 -12.680 10.837 1.00 73.30 H new ATOM 0 HB2 PRO A 84 0.122 -10.044 10.741 1.00 41.22 H new ATOM 0 HB3 PRO A 84 1.134 -10.681 12.022 1.00 41.22 H new ATOM 0 HG2 PRO A 84 1.957 -8.641 10.461 1.00 64.04 H new ATOM 0 HG3 PRO A 84 3.087 -9.819 11.099 1.00 64.04 H new ATOM 0 HD2 PRO A 84 1.940 -9.617 8.316 1.00 1.24 H new ATOM 0 HD3 PRO A 84 3.566 -10.047 8.807 1.00 1.24 H new ATOM 1280 N PHE A 85 -0.629 -11.491 8.663 1.00 63.02 N ATOM 1281 CA PHE A 85 -1.841 -11.789 7.912 1.00 75.20 C ATOM 1282 C PHE A 85 -1.656 -11.334 6.472 1.00 74.53 C ATOM 1283 O PHE A 85 -1.831 -12.118 5.537 1.00 22.11 O ATOM 1284 CB PHE A 85 -3.064 -11.094 8.529 1.00 74.15 C ATOM 1285 CG PHE A 85 -3.487 -11.663 9.854 1.00 21.20 C ATOM 1286 CD1 PHE A 85 -4.301 -12.781 9.913 1.00 74.22 C ATOM 1287 CD2 PHE A 85 -3.068 -11.084 11.043 1.00 13.10 C ATOM 1288 CE1 PHE A 85 -4.692 -13.311 11.127 1.00 51.54 C ATOM 1289 CE2 PHE A 85 -3.456 -11.610 12.259 1.00 50.04 C ATOM 1290 CZ PHE A 85 -4.268 -12.724 12.301 1.00 52.11 C ATOM 0 H PHE A 85 -0.175 -10.622 8.383 1.00 63.02 H new ATOM 0 HA PHE A 85 -2.018 -12.864 7.945 1.00 75.20 H new ATOM 0 HB2 PHE A 85 -2.842 -10.034 8.655 1.00 74.15 H new ATOM 0 HB3 PHE A 85 -3.899 -11.164 7.832 1.00 74.15 H new ATOM 0 HD1 PHE A 85 -4.635 -13.245 8.997 1.00 74.22 H new ATOM 0 HD2 PHE A 85 -2.431 -10.212 11.017 1.00 13.10 H new ATOM 0 HE1 PHE A 85 -5.328 -14.183 11.157 1.00 51.54 H new ATOM 0 HE2 PHE A 85 -3.124 -11.149 13.177 1.00 50.04 H new ATOM 0 HZ PHE A 85 -4.572 -13.136 13.252 1.00 52.11 H new ATOM 1300 N ASP A 86 -1.291 -10.059 6.321 1.00 5.53 N ATOM 1301 CA ASP A 86 -0.979 -9.462 5.020 1.00 41.22 C ATOM 1302 C ASP A 86 -2.233 -9.321 4.152 1.00 23.32 C ATOM 1303 O ASP A 86 -3.242 -9.989 4.379 1.00 63.44 O ATOM 1304 CB ASP A 86 0.112 -10.267 4.301 1.00 20.20 C ATOM 1305 CG ASP A 86 0.512 -9.654 2.975 1.00 31.53 C ATOM 1306 OD1 ASP A 86 0.737 -8.425 2.932 1.00 55.50 O ATOM 1307 OD2 ASP A 86 0.583 -10.399 1.977 1.00 61.30 O ATOM 0 H ASP A 86 -1.203 -9.408 7.101 1.00 5.53 H new ATOM 0 HA ASP A 86 -0.595 -8.457 5.196 1.00 41.22 H new ATOM 0 HB2 ASP A 86 0.989 -10.337 4.944 1.00 20.20 H new ATOM 0 HB3 ASP A 86 -0.243 -11.284 4.134 1.00 20.20 H new ATOM 1312 N GLY A 87 -2.165 -8.438 3.168 1.00 10.41 N ATOM 1313 CA GLY A 87 -3.329 -8.124 2.367 1.00 35.42 C ATOM 1314 C GLY A 87 -4.161 -7.049 3.025 1.00 11.22 C ATOM 1315 O GLY A 87 -5.392 -7.091 3.003 1.00 25.43 O ATOM 0 H GLY A 87 -1.319 -7.930 2.909 1.00 10.41 H new ATOM 0 HA2 GLY A 87 -3.016 -7.792 1.377 1.00 35.42 H new ATOM 0 HA3 GLY A 87 -3.932 -9.021 2.227 1.00 35.42 H new ATOM 1319 N PHE A 88 -3.476 -6.078 3.617 1.00 54.43 N ATOM 1320 CA PHE A 88 -4.136 -5.029 4.380 1.00 11.21 C ATOM 1321 C PHE A 88 -4.632 -3.913 3.470 1.00 71.55 C ATOM 1322 O PHE A 88 -4.484 -3.971 2.247 1.00 63.42 O ATOM 1323 CB PHE A 88 -3.179 -4.446 5.423 1.00 1.24 C ATOM 1324 CG PHE A 88 -2.618 -5.462 6.372 1.00 23.42 C ATOM 1325 CD1 PHE A 88 -3.445 -6.138 7.252 1.00 13.21 C ATOM 1326 CD2 PHE A 88 -1.260 -5.734 6.392 1.00 14.44 C ATOM 1327 CE1 PHE A 88 -2.930 -7.068 8.132 1.00 32.40 C ATOM 1328 CE2 PHE A 88 -0.737 -6.664 7.269 1.00 31.33 C ATOM 1329 CZ PHE A 88 -1.574 -7.332 8.141 1.00 74.24 C ATOM 0 H PHE A 88 -2.460 -5.996 3.582 1.00 54.43 H new ATOM 0 HA PHE A 88 -4.994 -5.477 4.882 1.00 11.21 H new ATOM 0 HB2 PHE A 88 -2.355 -3.951 4.909 1.00 1.24 H new ATOM 0 HB3 PHE A 88 -3.704 -3.681 5.995 1.00 1.24 H new ATOM 0 HD1 PHE A 88 -4.506 -5.935 7.250 1.00 13.21 H new ATOM 0 HD2 PHE A 88 -0.602 -5.212 5.713 1.00 14.44 H new ATOM 0 HE1 PHE A 88 -3.587 -7.589 8.813 1.00 32.40 H new ATOM 0 HE2 PHE A 88 0.324 -6.868 7.273 1.00 31.33 H new ATOM 0 HZ PHE A 88 -1.169 -8.060 8.829 1.00 74.24 H new ATOM 1339 N ARG A 89 -5.220 -2.894 4.078 1.00 43.51 N ATOM 1340 CA ARG A 89 -5.702 -1.738 3.344 1.00 24.20 C ATOM 1341 C ARG A 89 -5.030 -0.487 3.891 1.00 20.43 C ATOM 1342 O ARG A 89 -4.868 -0.348 5.105 1.00 63.30 O ATOM 1343 CB ARG A 89 -7.224 -1.625 3.450 1.00 62.50 C ATOM 1344 CG ARG A 89 -7.949 -2.934 3.176 1.00 0.33 C ATOM 1345 CD ARG A 89 -9.452 -2.739 3.144 1.00 53.34 C ATOM 1346 NE ARG A 89 -10.185 -3.994 3.321 1.00 50.40 N ATOM 1347 CZ ARG A 89 -11.517 -4.075 3.328 1.00 15.43 C ATOM 1348 NH1 ARG A 89 -12.252 -3.001 3.051 1.00 74.04 N ATOM 1349 NH2 ARG A 89 -12.108 -5.229 3.603 1.00 54.41 N ATOM 0 H ARG A 89 -5.375 -2.846 5.085 1.00 43.51 H new ATOM 0 HA ARG A 89 -5.452 -1.850 2.289 1.00 24.20 H new ATOM 0 HB2 ARG A 89 -7.486 -1.276 4.449 1.00 62.50 H new ATOM 0 HB3 ARG A 89 -7.574 -0.870 2.746 1.00 62.50 H new ATOM 0 HG2 ARG A 89 -7.614 -3.345 2.224 1.00 0.33 H new ATOM 0 HG3 ARG A 89 -7.692 -3.662 3.945 1.00 0.33 H new ATOM 0 HD2 ARG A 89 -9.741 -2.040 3.929 1.00 53.34 H new ATOM 0 HD3 ARG A 89 -9.736 -2.287 2.194 1.00 53.34 H new ATOM 0 HE ARG A 89 -9.649 -4.853 3.446 1.00 50.40 H new ATOM 0 HH11 ARG A 89 -11.797 -2.114 2.833 1.00 74.04 H new ATOM 0 HH12 ARG A 89 -13.270 -3.064 3.057 1.00 74.04 H new ATOM 0 HH21 ARG A 89 -11.545 -6.054 3.809 1.00 54.41 H new ATOM 0 HH22 ARG A 89 -13.126 -5.292 3.609 1.00 54.41 H new ATOM 1363 N LEU A 90 -4.633 0.413 3.006 1.00 2.44 N ATOM 1364 CA LEU A 90 -3.834 1.561 3.402 1.00 55.42 C ATOM 1365 C LEU A 90 -4.657 2.839 3.409 1.00 72.12 C ATOM 1366 O LEU A 90 -5.029 3.356 2.353 1.00 73.32 O ATOM 1367 CB LEU A 90 -2.641 1.725 2.462 1.00 75.43 C ATOM 1368 CG LEU A 90 -1.633 0.578 2.487 1.00 22.00 C ATOM 1369 CD1 LEU A 90 -0.561 0.792 1.429 1.00 13.23 C ATOM 1370 CD2 LEU A 90 -1.000 0.453 3.866 1.00 71.32 C ATOM 0 H LEU A 90 -4.851 0.371 2.010 1.00 2.44 H new ATOM 0 HA LEU A 90 -3.478 1.379 4.416 1.00 55.42 H new ATOM 0 HB2 LEU A 90 -3.014 1.838 1.444 1.00 75.43 H new ATOM 0 HB3 LEU A 90 -2.122 2.649 2.716 1.00 75.43 H new ATOM 0 HG LEU A 90 -2.160 -0.350 2.265 1.00 22.00 H new ATOM 0 HD11 LEU A 90 0.150 -0.034 1.459 1.00 13.23 H new ATOM 0 HD12 LEU A 90 -1.026 0.835 0.444 1.00 13.23 H new ATOM 0 HD13 LEU A 90 -0.038 1.728 1.625 1.00 13.23 H new ATOM 0 HD21 LEU A 90 -0.285 -0.369 3.865 1.00 71.32 H new ATOM 0 HD22 LEU A 90 -0.486 1.381 4.116 1.00 71.32 H new ATOM 0 HD23 LEU A 90 -1.776 0.258 4.606 1.00 71.32 H new ATOM 1382 N HIS A 91 -4.940 3.348 4.596 1.00 41.40 N ATOM 1383 CA HIS A 91 -5.611 4.632 4.723 1.00 23.34 C ATOM 1384 C HIS A 91 -4.560 5.737 4.740 1.00 35.13 C ATOM 1385 O HIS A 91 -3.962 6.024 5.775 1.00 23.21 O ATOM 1386 CB HIS A 91 -6.474 4.677 5.991 1.00 71.41 C ATOM 1387 CG HIS A 91 -7.382 5.871 6.067 1.00 23.14 C ATOM 1388 ND1 HIS A 91 -7.492 6.670 7.186 1.00 25.42 N ATOM 1389 CD2 HIS A 91 -8.242 6.388 5.157 1.00 44.33 C ATOM 1390 CE1 HIS A 91 -8.375 7.624 6.958 1.00 2.41 C ATOM 1391 NE2 HIS A 91 -8.844 7.477 5.737 1.00 31.21 N ATOM 0 H HIS A 91 -4.717 2.895 5.482 1.00 41.40 H new ATOM 0 HA HIS A 91 -6.277 4.778 3.873 1.00 23.34 H new ATOM 0 HB2 HIS A 91 -7.077 3.770 6.041 1.00 71.41 H new ATOM 0 HB3 HIS A 91 -5.821 4.673 6.864 1.00 71.41 H new ATOM 0 HD2 HIS A 91 -8.421 6.013 4.160 1.00 44.33 H new ATOM 0 HE1 HIS A 91 -8.664 8.396 7.656 1.00 2.41 H new ATOM 0 HE2 HIS A 91 -9.541 8.075 5.294 1.00 31.21 H new ATOM 1400 N ILE A 92 -4.322 6.326 3.582 1.00 13.43 N ATOM 1401 CA ILE A 92 -3.251 7.299 3.422 1.00 52.35 C ATOM 1402 C ILE A 92 -3.677 8.663 3.945 1.00 20.04 C ATOM 1403 O ILE A 92 -4.585 9.298 3.398 1.00 63.44 O ATOM 1404 CB ILE A 92 -2.820 7.427 1.946 1.00 32.01 C ATOM 1405 CG1 ILE A 92 -2.488 6.050 1.359 1.00 74.43 C ATOM 1406 CG2 ILE A 92 -1.624 8.360 1.816 1.00 21.32 C ATOM 1407 CD1 ILE A 92 -1.366 5.326 2.080 1.00 41.31 C ATOM 0 H ILE A 92 -4.858 6.148 2.733 1.00 13.43 H new ATOM 0 HA ILE A 92 -2.401 6.940 4.003 1.00 52.35 H new ATOM 0 HB ILE A 92 -3.652 7.851 1.384 1.00 32.01 H new ATOM 0 HG12 ILE A 92 -3.384 5.429 1.386 1.00 74.43 H new ATOM 0 HG13 ILE A 92 -2.215 6.170 0.311 1.00 74.43 H new ATOM 0 HG21 ILE A 92 -1.335 8.437 0.768 1.00 21.32 H new ATOM 0 HG22 ILE A 92 -1.890 9.348 2.193 1.00 21.32 H new ATOM 0 HG23 ILE A 92 -0.789 7.964 2.394 1.00 21.32 H new ATOM 0 HD11 ILE A 92 -1.192 4.361 1.605 1.00 41.31 H new ATOM 0 HD12 ILE A 92 -0.456 5.924 2.031 1.00 41.31 H new ATOM 0 HD13 ILE A 92 -1.643 5.172 3.123 1.00 41.31 H new ATOM 1419 N ILE A 93 -3.027 9.096 5.011 1.00 71.24 N ATOM 1420 CA ILE A 93 -3.306 10.386 5.618 1.00 43.24 C ATOM 1421 C ILE A 93 -2.353 11.443 5.071 1.00 52.53 C ATOM 1422 O ILE A 93 -1.137 11.307 5.200 1.00 53.23 O ATOM 1423 CB ILE A 93 -3.150 10.321 7.153 1.00 64.42 C ATOM 1424 CG1 ILE A 93 -4.128 9.310 7.761 1.00 64.24 C ATOM 1425 CG2 ILE A 93 -3.343 11.694 7.784 1.00 44.05 C ATOM 1426 CD1 ILE A 93 -5.584 9.699 7.610 1.00 4.24 C ATOM 0 H ILE A 93 -2.293 8.565 5.479 1.00 71.24 H new ATOM 0 HA ILE A 93 -4.335 10.651 5.374 1.00 43.24 H new ATOM 0 HB ILE A 93 -2.134 9.988 7.368 1.00 64.42 H new ATOM 0 HG12 ILE A 93 -3.971 8.339 7.291 1.00 64.24 H new ATOM 0 HG13 ILE A 93 -3.901 9.192 8.821 1.00 64.24 H new ATOM 0 HG21 ILE A 93 -3.227 11.617 8.865 1.00 44.05 H new ATOM 0 HG22 ILE A 93 -2.598 12.384 7.388 1.00 44.05 H new ATOM 0 HG23 ILE A 93 -4.341 12.064 7.551 1.00 44.05 H new ATOM 0 HD11 ILE A 93 -6.214 8.934 8.065 1.00 4.24 H new ATOM 0 HD12 ILE A 93 -5.759 10.654 8.105 1.00 4.24 H new ATOM 0 HD13 ILE A 93 -5.829 9.788 6.552 1.00 4.24 H new ATOM 1438 N ASP A 94 -2.897 12.478 4.453 1.00 74.03 N ATOM 1439 CA ASP A 94 -2.080 13.587 3.981 1.00 23.12 C ATOM 1440 C ASP A 94 -2.162 14.720 4.992 1.00 12.25 C ATOM 1441 O ASP A 94 -3.175 14.867 5.678 1.00 40.43 O ATOM 1442 CB ASP A 94 -2.550 14.074 2.607 1.00 33.14 C ATOM 1443 CG ASP A 94 -1.501 14.901 1.881 1.00 31.53 C ATOM 1444 OD1 ASP A 94 -1.223 16.045 2.304 1.00 2.21 O ATOM 1445 OD2 ASP A 94 -0.948 14.409 0.872 1.00 4.22 O ATOM 0 H ASP A 94 -3.895 12.575 4.266 1.00 74.03 H new ATOM 0 HA ASP A 94 -1.049 13.250 3.878 1.00 23.12 H new ATOM 0 HB2 ASP A 94 -2.815 13.213 1.993 1.00 33.14 H new ATOM 0 HB3 ASP A 94 -3.455 14.670 2.728 1.00 33.14 H new ATOM 1450 N LEU A 95 -1.106 15.507 5.096 1.00 22.33 N ATOM 1451 CA LEU A 95 -1.077 16.603 6.051 1.00 1.11 C ATOM 1452 C LEU A 95 -1.919 17.776 5.557 1.00 73.14 C ATOM 1453 O LEU A 95 -2.388 18.595 6.350 1.00 71.14 O ATOM 1454 CB LEU A 95 0.363 17.047 6.311 1.00 24.34 C ATOM 1455 CG LEU A 95 0.540 18.073 7.434 1.00 63.30 C ATOM 1456 CD1 LEU A 95 0.071 17.503 8.765 1.00 74.00 C ATOM 1457 CD2 LEU A 95 1.992 18.514 7.523 1.00 13.44 C ATOM 0 H LEU A 95 -0.260 15.409 4.534 1.00 22.33 H new ATOM 0 HA LEU A 95 -1.505 16.250 6.989 1.00 1.11 H new ATOM 0 HB2 LEU A 95 0.960 16.166 6.549 1.00 24.34 H new ATOM 0 HB3 LEU A 95 0.768 17.467 5.390 1.00 24.34 H new ATOM 0 HG LEU A 95 -0.074 18.944 7.203 1.00 63.30 H new ATOM 0 HD11 LEU A 95 0.206 18.249 9.548 1.00 74.00 H new ATOM 0 HD12 LEU A 95 -0.984 17.237 8.695 1.00 74.00 H new ATOM 0 HD13 LEU A 95 0.654 16.614 9.006 1.00 74.00 H new ATOM 0 HD21 LEU A 95 2.102 19.243 8.326 1.00 13.44 H new ATOM 0 HD22 LEU A 95 2.623 17.649 7.729 1.00 13.44 H new ATOM 0 HD23 LEU A 95 2.294 18.966 6.578 1.00 13.44 H new ATOM 1469 N ASP A 96 -2.123 17.853 4.249 1.00 52.13 N ATOM 1470 CA ASP A 96 -2.931 18.921 3.674 1.00 54.14 C ATOM 1471 C ASP A 96 -4.014 18.351 2.769 1.00 21.32 C ATOM 1472 O ASP A 96 -3.718 17.692 1.773 1.00 3.21 O ATOM 1473 CB ASP A 96 -2.059 19.906 2.893 1.00 21.53 C ATOM 1474 CG ASP A 96 -2.867 21.036 2.278 1.00 41.03 C ATOM 1475 OD1 ASP A 96 -3.397 21.879 3.032 1.00 24.01 O ATOM 1476 OD2 ASP A 96 -2.963 21.099 1.036 1.00 15.22 O ATOM 0 H ASP A 96 -1.743 17.194 3.570 1.00 52.13 H new ATOM 0 HA ASP A 96 -3.408 19.456 4.495 1.00 54.14 H new ATOM 0 HB2 ASP A 96 -1.303 20.324 3.558 1.00 21.53 H new ATOM 0 HB3 ASP A 96 -1.529 19.371 2.105 1.00 21.53 H new ATOM 1481 N PRO A 97 -5.286 18.581 3.127 1.00 1.31 N ATOM 1482 CA PRO A 97 -6.432 18.112 2.352 1.00 41.01 C ATOM 1483 C PRO A 97 -6.688 18.979 1.122 1.00 0.40 C ATOM 1484 O PRO A 97 -6.165 18.653 0.039 1.00 38.40 O ATOM 1485 CB PRO A 97 -7.611 18.214 3.336 1.00 13.44 C ATOM 1486 CG PRO A 97 -7.020 18.638 4.644 1.00 53.53 C ATOM 1487 CD PRO A 97 -5.716 19.305 4.323 1.00 54.21 C ATOM 1488 OXT PRO A 97 -7.407 19.992 1.244 1.00 38.40 O ATOM 0 HA PRO A 97 -6.275 17.104 1.968 1.00 41.01 H new ATOM 0 HB2 PRO A 97 -8.348 18.937 2.988 1.00 13.44 H new ATOM 0 HB3 PRO A 97 -8.124 17.257 3.431 1.00 13.44 H new ATOM 0 HG2 PRO A 97 -7.687 19.322 5.168 1.00 53.53 H new ATOM 0 HG3 PRO A 97 -6.866 17.779 5.297 1.00 53.53 H new ATOM 0 HD2 PRO A 97 -5.840 20.371 4.131 1.00 54.21 H new ATOM 0 HD3 PRO A 97 -4.998 19.209 5.137 1.00 54.21 H new TER 1496 PRO A 97