USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 889 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 86 THR OG1 : rot -34:sc= 0.242 USER MOD Set 1.2: A 115 GLN : amide:sc= 0.309 X(o=0.55,f=0.21) USER MOD Set 2.1: A 71 GLN : amide:sc= -1.03! K(o=-0.52!,f=0.14) USER MOD Set 2.2: A 104 THR OG1 : rot 180:sc= 0.509 USER MOD Set 3.1: A 47 LYS NZ :NH3+ -128:sc= 0.0978 (180deg=-1.79!) USER MOD Set 3.2: A 56 TYR OH : rot 180:sc= 0.149 USER MOD Set 4.1: A 21 THR OG1 : rot -133:sc= -0.653 USER MOD Set 4.2: A 37 ASN : amide:sc= 0.0389 X(o=-0.61,f=-0.35) USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.0186) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 146:sc= 0.967 (180deg=0.325) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot -164:sc= -0.644 USER MOD Single : A 7 TYR OH : rot 169:sc= 0.58 USER MOD Single : A 16 SER OG : rot 153:sc= 0.398 USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= 0.982 (180deg=0.843) USER MOD Single : A 23 THR OG1 : rot 140:sc= 0.0323 USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= 0.513 (180deg=0.00338) USER MOD Single : A 28 ASN : amide:sc= -0.704 K(o=-0.7,f=-0.013) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.714 K(o=0.71,f=-5.9!) USER MOD Single : A 41 LYS NZ :NH3+ -171:sc=-0.000502 (180deg=-0.0823) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00391 USER MOD Single : A 51 SER OG : rot 83:sc= 0.775 USER MOD Single : A 53 ASN : amide:sc= -0.0425 K(o=-0.042,f=-1.2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 155:sc= -0.196 (180deg=-0.797) USER MOD Single : A 69 HIS : no HD1:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -123:sc= 0.684 (180deg=-0.00579) USER MOD Single : A 78 TYR OH : rot -160:sc= 0.077 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.204 K(o=-0.2,f=-4.2!) USER MOD Single : A 89 LYS NZ :NH3+ 163:sc= -0.0639 (180deg=-0.375) USER MOD Single : A 90 TYR OH : rot 27:sc= -0.802 USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.0254 (180deg=-0.228) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 96 HIS : no HD1:sc= 0.478 K(o=0.55,f=-2.7!) USER MOD Single : A 97 THR OG1 : rot 90:sc= 0.14 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 172:sc= 0.143 (180deg=0.0434) USER MOD Single : A 108 LYS NZ :NH3+ 146:sc= 0.0662 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 147:sc= 1.23 (180deg=-0.957!) USER MOD Single : A 116 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0117) USER MOD Single : A 119 LYS NZ :NH3+ -106:sc= 0.388 (180deg=-0.335) USER MOD Single : A 123 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0706) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.639 -9.723 16.867 1.00 25.02 N ATOM 2 CA MET A 1 3.921 -9.722 15.417 1.00 35.53 C ATOM 3 C MET A 1 5.107 -10.642 15.129 1.00 61.22 C ATOM 4 O MET A 1 6.168 -10.519 15.746 1.00 73.23 O ATOM 5 CB MET A 1 4.194 -8.289 14.940 1.00 2.44 C ATOM 6 CG MET A 1 4.359 -8.155 13.435 1.00 41.31 C ATOM 7 SD MET A 1 4.234 -6.451 12.856 1.00 20.02 S ATOM 8 CE MET A 1 5.592 -5.654 13.702 1.00 51.11 C ATOM 0 H1 MET A 1 2.832 -9.097 17.064 1.00 25.02 H new ATOM 0 H2 MET A 1 3.411 -10.690 17.176 1.00 25.02 H new ATOM 0 H3 MET A 1 4.475 -9.383 17.384 1.00 25.02 H new ATOM 0 HA MET A 1 3.056 -10.097 14.870 1.00 35.53 H new ATOM 0 HB2 MET A 1 3.374 -7.648 15.263 1.00 2.44 H new ATOM 0 HB3 MET A 1 5.097 -7.921 15.428 1.00 2.44 H new ATOM 0 HG2 MET A 1 5.328 -8.561 13.145 1.00 41.31 H new ATOM 0 HG3 MET A 1 3.599 -8.758 12.937 1.00 41.31 H new ATOM 0 HE1 MET A 1 5.644 -4.608 13.401 1.00 51.11 H new ATOM 0 HE2 MET A 1 5.436 -5.715 14.779 1.00 51.11 H new ATOM 0 HE3 MET A 1 6.526 -6.153 13.442 1.00 51.11 H new ATOM 20 N LYS A 2 4.913 -11.559 14.193 1.00 10.23 N ATOM 21 CA LYS A 2 5.902 -12.575 13.876 1.00 63.14 C ATOM 22 C LYS A 2 6.552 -12.239 12.545 1.00 72.32 C ATOM 23 O LYS A 2 5.990 -11.471 11.761 1.00 53.40 O ATOM 24 CB LYS A 2 5.230 -13.961 13.850 1.00 52.51 C ATOM 25 CG LYS A 2 4.092 -14.088 12.834 1.00 41.53 C ATOM 26 CD LYS A 2 3.121 -15.205 13.186 1.00 54.01 C ATOM 27 CE LYS A 2 2.394 -14.921 14.491 1.00 42.12 C ATOM 28 NZ LYS A 2 1.380 -15.951 14.814 1.00 65.12 N ATOM 0 H LYS A 2 4.063 -11.619 13.632 1.00 10.23 H new ATOM 0 HA LYS A 2 6.680 -12.599 14.639 1.00 63.14 H new ATOM 0 HB2 LYS A 2 5.986 -14.715 13.628 1.00 52.51 H new ATOM 0 HB3 LYS A 2 4.841 -14.182 14.844 1.00 52.51 H new ATOM 0 HG2 LYS A 2 3.551 -13.144 12.779 1.00 41.53 H new ATOM 0 HG3 LYS A 2 4.511 -14.273 11.845 1.00 41.53 H new ATOM 0 HD2 LYS A 2 2.395 -15.324 12.382 1.00 54.01 H new ATOM 0 HD3 LYS A 2 3.663 -16.147 13.268 1.00 54.01 H new ATOM 0 HE2 LYS A 2 3.120 -14.864 15.302 1.00 42.12 H new ATOM 0 HE3 LYS A 2 1.909 -13.947 14.428 1.00 42.12 H new ATOM 0 HZ1 LYS A 2 1.332 -16.080 15.845 1.00 65.12 H new ATOM 0 HZ2 LYS A 2 0.451 -15.647 14.459 1.00 65.12 H new ATOM 0 HZ3 LYS A 2 1.644 -16.851 14.365 1.00 65.12 H new ATOM 42 N ASP A 3 7.730 -12.789 12.291 1.00 64.23 N ATOM 43 CA ASP A 3 8.416 -12.513 11.041 1.00 55.44 C ATOM 44 C ASP A 3 7.819 -13.340 9.904 1.00 53.40 C ATOM 45 O ASP A 3 7.635 -14.557 10.003 1.00 63.22 O ATOM 46 CB ASP A 3 9.944 -12.693 11.154 1.00 34.20 C ATOM 47 CG ASP A 3 10.416 -14.127 11.300 1.00 62.24 C ATOM 48 OD1 ASP A 3 10.388 -14.656 12.422 1.00 11.21 O ATOM 49 OD2 ASP A 3 10.862 -14.714 10.293 1.00 45.53 O ATOM 0 H ASP A 3 8.223 -13.419 12.923 1.00 64.23 H new ATOM 0 HA ASP A 3 8.258 -11.460 10.806 1.00 55.44 H new ATOM 0 HB2 ASP A 3 10.411 -12.262 10.268 1.00 34.20 H new ATOM 0 HB3 ASP A 3 10.299 -12.121 12.012 1.00 34.20 H new ATOM 54 N GLY A 4 7.444 -12.628 8.868 1.00 3.14 N ATOM 55 CA GLY A 4 6.916 -13.219 7.668 1.00 44.01 C ATOM 56 C GLY A 4 6.545 -12.150 6.679 1.00 23.33 C ATOM 57 O GLY A 4 7.256 -11.155 6.531 1.00 75.33 O ATOM 0 H GLY A 4 7.499 -11.610 8.837 1.00 3.14 H new ATOM 0 HA2 GLY A 4 7.655 -13.889 7.229 1.00 44.01 H new ATOM 0 HA3 GLY A 4 6.040 -13.823 7.907 1.00 44.01 H new ATOM 61 N THR A 5 5.445 -12.342 5.992 1.00 3.54 N ATOM 62 CA THR A 5 4.935 -11.328 5.102 1.00 13.02 C ATOM 63 C THR A 5 3.431 -11.208 5.285 1.00 72.34 C ATOM 64 O THR A 5 2.698 -12.178 5.152 1.00 50.35 O ATOM 65 CB THR A 5 5.303 -11.623 3.630 1.00 33.52 C ATOM 66 OG1 THR A 5 6.723 -11.808 3.511 1.00 22.33 O ATOM 67 CG2 THR A 5 4.887 -10.484 2.723 1.00 72.02 C ATOM 0 H THR A 5 4.885 -13.193 6.033 1.00 3.54 H new ATOM 0 HA THR A 5 5.400 -10.375 5.353 1.00 13.02 H new ATOM 0 HB THR A 5 4.775 -12.528 3.329 1.00 33.52 H new ATOM 0 HG1 THR A 5 6.951 -11.996 2.577 1.00 22.33 H new ATOM 0 HG21 THR A 5 5.159 -10.720 1.694 1.00 72.02 H new ATOM 0 HG22 THR A 5 3.808 -10.341 2.790 1.00 72.02 H new ATOM 0 HG23 THR A 5 5.394 -9.570 3.031 1.00 72.02 H new ATOM 75 N TYR A 6 3.010 -10.017 5.644 1.00 22.24 N ATOM 76 CA TYR A 6 1.614 -9.699 5.879 1.00 74.12 C ATOM 77 C TYR A 6 1.087 -8.942 4.693 1.00 32.01 C ATOM 78 O TYR A 6 1.840 -8.226 4.071 1.00 11.13 O ATOM 79 CB TYR A 6 1.482 -8.800 7.110 1.00 31.00 C ATOM 80 CG TYR A 6 1.879 -9.443 8.409 1.00 50.34 C ATOM 81 CD1 TYR A 6 3.209 -9.596 8.787 1.00 0.25 C ATOM 82 CD2 TYR A 6 0.909 -9.878 9.272 1.00 52.13 C ATOM 83 CE1 TYR A 6 3.540 -10.179 9.989 1.00 24.13 C ATOM 84 CE2 TYR A 6 1.231 -10.450 10.462 1.00 1.21 C ATOM 85 CZ TYR A 6 2.539 -10.601 10.826 1.00 3.20 C ATOM 86 OH TYR A 6 2.834 -11.169 12.040 1.00 13.13 O ATOM 0 H TYR A 6 3.637 -9.225 5.784 1.00 22.24 H new ATOM 0 HA TYR A 6 1.058 -10.623 6.035 1.00 74.12 H new ATOM 0 HB2 TYR A 6 2.094 -7.911 6.960 1.00 31.00 H new ATOM 0 HB3 TYR A 6 0.448 -8.465 7.188 1.00 31.00 H new ATOM 0 HD1 TYR A 6 3.993 -9.253 8.128 1.00 0.25 H new ATOM 0 HD2 TYR A 6 -0.131 -9.765 9.002 1.00 52.13 H new ATOM 0 HE1 TYR A 6 4.576 -10.303 10.270 1.00 24.13 H new ATOM 0 HE2 TYR A 6 0.448 -10.787 11.124 1.00 1.21 H new ATOM 0 HH TYR A 6 2.041 -11.628 12.388 1.00 13.13 H new ATOM 96 N TYR A 7 -0.175 -9.098 4.360 1.00 74.44 N ATOM 97 CA TYR A 7 -0.772 -8.257 3.339 1.00 41.21 C ATOM 98 C TYR A 7 -2.208 -7.917 3.725 1.00 63.35 C ATOM 99 O TYR A 7 -2.812 -8.605 4.548 1.00 23.44 O ATOM 100 CB TYR A 7 -0.668 -8.938 1.945 1.00 11.31 C ATOM 101 CG TYR A 7 -1.939 -9.556 1.404 1.00 14.04 C ATOM 102 CD1 TYR A 7 -2.409 -10.783 1.856 1.00 32.42 C ATOM 103 CD2 TYR A 7 -2.677 -8.882 0.447 1.00 15.14 C ATOM 104 CE1 TYR A 7 -3.580 -11.315 1.364 1.00 10.14 C ATOM 105 CE2 TYR A 7 -3.847 -9.403 -0.046 1.00 64.14 C ATOM 106 CZ TYR A 7 -4.297 -10.620 0.416 1.00 34.34 C ATOM 107 OH TYR A 7 -5.465 -11.148 -0.071 1.00 23.23 O ATOM 0 H TYR A 7 -0.803 -9.788 4.773 1.00 74.44 H new ATOM 0 HA TYR A 7 -0.224 -7.317 3.268 1.00 41.21 H new ATOM 0 HB2 TYR A 7 -0.316 -8.197 1.228 1.00 11.31 H new ATOM 0 HB3 TYR A 7 0.094 -9.716 2.000 1.00 11.31 H new ATOM 0 HD1 TYR A 7 -1.849 -11.326 2.603 1.00 32.42 H new ATOM 0 HD2 TYR A 7 -2.326 -7.928 0.081 1.00 15.14 H new ATOM 0 HE1 TYR A 7 -3.934 -12.271 1.720 1.00 10.14 H new ATOM 0 HE2 TYR A 7 -4.411 -8.862 -0.791 1.00 64.14 H new ATOM 0 HH TYR A 7 -5.937 -10.469 -0.596 1.00 23.23 H new ATOM 117 N ALA A 8 -2.735 -6.848 3.149 1.00 72.05 N ATOM 118 CA ALA A 8 -4.154 -6.571 3.210 1.00 13.15 C ATOM 119 C ALA A 8 -4.616 -6.001 1.893 1.00 23.30 C ATOM 120 O ALA A 8 -3.890 -5.241 1.277 1.00 34.15 O ATOM 121 CB ALA A 8 -4.468 -5.607 4.317 1.00 74.03 C ATOM 0 H ALA A 8 -2.193 -6.156 2.631 1.00 72.05 H new ATOM 0 HA ALA A 8 -4.678 -7.505 3.411 1.00 13.15 H new ATOM 0 HB1 ALA A 8 -5.541 -5.416 4.340 1.00 74.03 H new ATOM 0 HB2 ALA A 8 -4.154 -6.033 5.270 1.00 74.03 H new ATOM 0 HB3 ALA A 8 -3.937 -4.671 4.146 1.00 74.03 H new ATOM 127 N GLU A 9 -5.819 -6.358 1.480 1.00 42.33 N ATOM 128 CA GLU A 9 -6.379 -5.877 0.223 1.00 43.24 C ATOM 129 C GLU A 9 -7.598 -5.008 0.488 1.00 64.30 C ATOM 130 O GLU A 9 -8.256 -5.151 1.531 1.00 41.41 O ATOM 131 CB GLU A 9 -6.752 -7.047 -0.689 1.00 21.21 C ATOM 132 CG GLU A 9 -7.637 -8.089 -0.027 1.00 52.45 C ATOM 133 CD GLU A 9 -8.216 -9.077 -1.009 1.00 54.34 C ATOM 134 OE1 GLU A 9 -7.445 -9.787 -1.680 1.00 73.24 O ATOM 135 OE2 GLU A 9 -9.453 -9.167 -1.093 1.00 34.31 O ATOM 0 H GLU A 9 -6.434 -6.985 2.000 1.00 42.33 H new ATOM 0 HA GLU A 9 -5.621 -5.278 -0.281 1.00 43.24 H new ATOM 0 HB2 GLU A 9 -7.262 -6.659 -1.570 1.00 21.21 H new ATOM 0 HB3 GLU A 9 -5.838 -7.529 -1.036 1.00 21.21 H new ATOM 0 HG2 GLU A 9 -7.057 -8.627 0.723 1.00 52.45 H new ATOM 0 HG3 GLU A 9 -8.450 -7.587 0.498 1.00 52.45 H new ATOM 142 N ALA A 10 -7.849 -4.072 -0.434 1.00 20.32 N ATOM 143 CA ALA A 10 -9.005 -3.186 -0.377 1.00 62.32 C ATOM 144 C ALA A 10 -10.324 -3.961 -0.330 1.00 62.32 C ATOM 145 O ALA A 10 -10.426 -5.072 -0.874 1.00 70.41 O ATOM 146 CB ALA A 10 -8.982 -2.252 -1.573 1.00 72.45 C ATOM 0 H ALA A 10 -7.249 -3.911 -1.243 1.00 20.32 H new ATOM 0 HA ALA A 10 -8.943 -2.608 0.545 1.00 62.32 H new ATOM 0 HB1 ALA A 10 -9.846 -1.588 -1.533 1.00 72.45 H new ATOM 0 HB2 ALA A 10 -8.067 -1.659 -1.554 1.00 72.45 H new ATOM 0 HB3 ALA A 10 -9.016 -2.837 -2.492 1.00 72.45 H new ATOM 152 N ASP A 11 -11.318 -3.362 0.342 1.00 52.44 N ATOM 153 CA ASP A 11 -12.638 -3.977 0.555 1.00 32.22 C ATOM 154 C ASP A 11 -13.337 -4.252 -0.776 1.00 52.32 C ATOM 155 O ASP A 11 -13.860 -5.342 -1.004 1.00 75.42 O ATOM 156 CB ASP A 11 -13.501 -3.061 1.440 1.00 45.04 C ATOM 157 CG ASP A 11 -14.870 -3.636 1.748 1.00 41.14 C ATOM 158 OD1 ASP A 11 -14.956 -4.567 2.565 1.00 3.15 O ATOM 159 OD2 ASP A 11 -15.866 -3.149 1.184 1.00 72.42 O ATOM 0 H ASP A 11 -11.229 -2.434 0.755 1.00 52.44 H new ATOM 0 HA ASP A 11 -12.499 -4.933 1.060 1.00 32.22 H new ATOM 0 HB2 ASP A 11 -12.975 -2.873 2.376 1.00 45.04 H new ATOM 0 HB3 ASP A 11 -13.623 -2.098 0.943 1.00 45.04 H new ATOM 164 N ASP A 12 -13.305 -3.269 -1.651 1.00 53.01 N ATOM 165 CA ASP A 12 -13.774 -3.430 -3.011 1.00 15.33 C ATOM 166 C ASP A 12 -12.642 -3.005 -3.949 1.00 75.54 C ATOM 167 O ASP A 12 -11.671 -2.394 -3.497 1.00 1.20 O ATOM 168 CB ASP A 12 -15.044 -2.578 -3.214 1.00 1.44 C ATOM 169 CG ASP A 12 -15.859 -2.950 -4.441 1.00 53.30 C ATOM 170 OD1 ASP A 12 -15.653 -4.042 -5.005 1.00 62.14 O ATOM 171 OD2 ASP A 12 -16.720 -2.144 -4.844 1.00 12.14 O ATOM 0 H ASP A 12 -12.953 -2.335 -1.439 1.00 53.01 H new ATOM 0 HA ASP A 12 -14.039 -4.465 -3.225 1.00 15.33 H new ATOM 0 HB2 ASP A 12 -15.676 -2.673 -2.331 1.00 1.44 H new ATOM 0 HB3 ASP A 12 -14.756 -1.530 -3.288 1.00 1.44 H new ATOM 176 N PHE A 13 -12.744 -3.337 -5.236 1.00 1.13 N ATOM 177 CA PHE A 13 -11.759 -2.898 -6.222 1.00 2.15 C ATOM 178 C PHE A 13 -11.873 -1.400 -6.439 1.00 24.42 C ATOM 179 O PHE A 13 -12.982 -0.847 -6.426 1.00 33.02 O ATOM 180 CB PHE A 13 -11.936 -3.614 -7.568 1.00 31.23 C ATOM 181 CG PHE A 13 -11.550 -5.064 -7.567 1.00 44.11 C ATOM 182 CD1 PHE A 13 -10.252 -5.445 -7.857 1.00 63.34 C ATOM 183 CD2 PHE A 13 -12.481 -6.049 -7.280 1.00 4.05 C ATOM 184 CE1 PHE A 13 -9.885 -6.774 -7.858 1.00 42.30 C ATOM 185 CE2 PHE A 13 -12.122 -7.380 -7.280 1.00 24.35 C ATOM 186 CZ PHE A 13 -10.822 -7.745 -7.568 1.00 72.41 C ATOM 0 H PHE A 13 -13.498 -3.908 -5.619 1.00 1.13 H new ATOM 0 HA PHE A 13 -10.774 -3.149 -5.829 1.00 2.15 H new ATOM 0 HB2 PHE A 13 -12.979 -3.531 -7.873 1.00 31.23 H new ATOM 0 HB3 PHE A 13 -11.342 -3.095 -8.320 1.00 31.23 H new ATOM 0 HD1 PHE A 13 -9.515 -4.690 -8.086 1.00 63.34 H new ATOM 0 HD2 PHE A 13 -13.500 -5.771 -7.054 1.00 4.05 H new ATOM 0 HE1 PHE A 13 -8.867 -7.054 -8.085 1.00 42.30 H new ATOM 0 HE2 PHE A 13 -12.858 -8.138 -7.055 1.00 24.35 H new ATOM 0 HZ PHE A 13 -10.539 -8.787 -7.566 1.00 72.41 H new ATOM 196 N ASP A 14 -10.726 -0.753 -6.633 1.00 21.01 N ATOM 197 CA ASP A 14 -10.667 0.688 -6.899 1.00 25.40 C ATOM 198 C ASP A 14 -11.168 1.017 -8.297 1.00 11.40 C ATOM 199 O ASP A 14 -11.515 0.115 -9.057 1.00 45.43 O ATOM 200 CB ASP A 14 -9.248 1.216 -6.716 1.00 60.44 C ATOM 201 CG ASP A 14 -9.034 1.801 -5.345 1.00 65.13 C ATOM 202 OD1 ASP A 14 -9.470 1.182 -4.354 1.00 63.51 O ATOM 203 OD2 ASP A 14 -8.466 2.908 -5.258 1.00 74.22 O ATOM 0 H ASP A 14 -9.813 -1.208 -6.611 1.00 21.01 H new ATOM 0 HA ASP A 14 -11.321 1.178 -6.178 1.00 25.40 H new ATOM 0 HB2 ASP A 14 -8.537 0.407 -6.879 1.00 60.44 H new ATOM 0 HB3 ASP A 14 -9.044 1.976 -7.470 1.00 60.44 H new ATOM 208 N GLU A 15 -11.163 2.304 -8.642 1.00 43.11 N ATOM 209 CA GLU A 15 -11.808 2.790 -9.868 1.00 3.21 C ATOM 210 C GLU A 15 -11.164 2.246 -11.147 1.00 1.24 C ATOM 211 O GLU A 15 -11.865 2.012 -12.121 1.00 51.03 O ATOM 212 CB GLU A 15 -11.817 4.319 -9.902 1.00 22.41 C ATOM 213 CG GLU A 15 -12.525 4.970 -8.723 1.00 52.34 C ATOM 214 CD GLU A 15 -13.940 4.471 -8.513 1.00 14.32 C ATOM 215 OE1 GLU A 15 -14.858 4.951 -9.200 1.00 20.41 O ATOM 216 OE2 GLU A 15 -14.139 3.602 -7.644 1.00 65.13 O ATOM 0 H GLU A 15 -10.717 3.035 -8.088 1.00 43.11 H new ATOM 0 HA GLU A 15 -12.831 2.414 -9.842 1.00 3.21 H new ATOM 0 HB2 GLU A 15 -10.787 4.676 -9.934 1.00 22.41 H new ATOM 0 HB3 GLU A 15 -12.297 4.647 -10.824 1.00 22.41 H new ATOM 0 HG2 GLU A 15 -11.947 4.788 -7.817 1.00 52.34 H new ATOM 0 HG3 GLU A 15 -12.548 6.049 -8.875 1.00 52.34 H new ATOM 223 N SER A 16 -9.854 1.994 -11.121 1.00 20.33 N ATOM 224 CA SER A 16 -9.152 1.439 -12.283 1.00 72.21 C ATOM 225 C SER A 16 -9.194 -0.101 -12.319 1.00 43.31 C ATOM 226 O SER A 16 -8.601 -0.719 -13.212 1.00 31.51 O ATOM 227 CB SER A 16 -7.702 1.905 -12.280 1.00 22.31 C ATOM 228 OG SER A 16 -7.604 3.312 -12.266 1.00 73.24 O ATOM 0 H SER A 16 -9.258 2.164 -10.311 1.00 20.33 H new ATOM 0 HA SER A 16 -9.667 1.802 -13.172 1.00 72.21 H new ATOM 0 HB2 SER A 16 -7.191 1.496 -11.408 1.00 22.31 H new ATOM 0 HB3 SER A 16 -7.193 1.514 -13.161 1.00 22.31 H new ATOM 0 HG SER A 16 -6.758 3.577 -11.849 1.00 73.24 H new ATOM 234 N GLY A 17 -9.892 -0.714 -11.351 1.00 70.14 N ATOM 235 CA GLY A 17 -10.030 -2.164 -11.295 1.00 45.32 C ATOM 236 C GLY A 17 -8.881 -2.837 -10.573 1.00 75.30 C ATOM 237 O GLY A 17 -8.388 -3.875 -11.016 1.00 34.12 O ATOM 0 H GLY A 17 -10.369 -0.219 -10.597 1.00 70.14 H new ATOM 0 HA2 GLY A 17 -10.965 -2.416 -10.794 1.00 45.32 H new ATOM 0 HA3 GLY A 17 -10.096 -2.557 -12.309 1.00 45.32 H new ATOM 241 N TRP A 18 -8.445 -2.234 -9.467 1.00 61.04 N ATOM 242 CA TRP A 18 -7.296 -2.735 -8.711 1.00 5.43 C ATOM 243 C TRP A 18 -7.588 -2.723 -7.216 1.00 54.01 C ATOM 244 O TRP A 18 -7.826 -1.664 -6.643 1.00 11.41 O ATOM 245 CB TRP A 18 -6.037 -1.881 -8.969 1.00 20.10 C ATOM 246 CG TRP A 18 -5.510 -1.907 -10.378 1.00 52.41 C ATOM 247 CD1 TRP A 18 -5.844 -1.055 -11.385 1.00 63.51 C ATOM 248 CD2 TRP A 18 -4.543 -2.808 -10.931 1.00 4.44 C ATOM 249 NE1 TRP A 18 -5.167 -1.380 -12.529 1.00 64.44 N ATOM 250 CE2 TRP A 18 -4.356 -2.445 -12.278 1.00 62.13 C ATOM 251 CE3 TRP A 18 -3.819 -3.883 -10.427 1.00 3.33 C ATOM 252 CZ2 TRP A 18 -3.478 -3.118 -13.117 1.00 24.34 C ATOM 253 CZ3 TRP A 18 -2.947 -4.546 -11.259 1.00 74.34 C ATOM 254 CH2 TRP A 18 -2.781 -4.163 -12.587 1.00 20.32 C ATOM 0 H TRP A 18 -8.871 -1.395 -9.073 1.00 61.04 H new ATOM 0 HA TRP A 18 -7.114 -3.756 -9.047 1.00 5.43 H new ATOM 0 HB2 TRP A 18 -6.260 -0.848 -8.703 1.00 20.10 H new ATOM 0 HB3 TRP A 18 -5.247 -2.219 -8.299 1.00 20.10 H new ATOM 0 HD1 TRP A 18 -6.544 -0.238 -11.294 1.00 63.51 H new ATOM 0 HE1 TRP A 18 -5.256 -0.902 -13.425 1.00 64.44 H new ATOM 0 HE3 TRP A 18 -3.939 -4.192 -9.399 1.00 3.33 H new ATOM 0 HZ2 TRP A 18 -3.352 -2.825 -14.149 1.00 24.34 H new ATOM 0 HZ3 TRP A 18 -2.380 -5.381 -10.874 1.00 74.34 H new ATOM 0 HH2 TRP A 18 -2.085 -4.705 -13.211 1.00 20.32 H new ATOM 265 N LYS A 19 -7.596 -3.896 -6.592 1.00 74.43 N ATOM 266 CA LYS A 19 -7.628 -3.993 -5.135 1.00 34.34 C ATOM 267 C LYS A 19 -6.261 -3.677 -4.578 1.00 35.53 C ATOM 268 O LYS A 19 -5.347 -4.489 -4.711 1.00 3.41 O ATOM 269 CB LYS A 19 -8.018 -5.395 -4.688 1.00 41.03 C ATOM 270 CG LYS A 19 -9.468 -5.556 -4.314 1.00 34.21 C ATOM 271 CD LYS A 19 -9.727 -6.968 -3.846 1.00 54.41 C ATOM 272 CE LYS A 19 -11.193 -7.208 -3.586 1.00 23.34 C ATOM 273 NZ LYS A 19 -11.427 -8.591 -3.120 1.00 24.33 N ATOM 0 H LYS A 19 -7.581 -4.795 -7.073 1.00 74.43 H new ATOM 0 HA LYS A 19 -8.367 -3.282 -4.766 1.00 34.34 H new ATOM 0 HB2 LYS A 19 -7.784 -6.095 -5.490 1.00 41.03 H new ATOM 0 HB3 LYS A 19 -7.403 -5.673 -3.832 1.00 41.03 H new ATOM 0 HG2 LYS A 19 -9.730 -4.849 -3.526 1.00 34.21 H new ATOM 0 HG3 LYS A 19 -10.101 -5.326 -5.171 1.00 34.21 H new ATOM 0 HD2 LYS A 19 -9.370 -7.672 -4.598 1.00 54.41 H new ATOM 0 HD3 LYS A 19 -9.159 -7.160 -2.935 1.00 54.41 H new ATOM 0 HE2 LYS A 19 -11.554 -6.502 -2.838 1.00 23.34 H new ATOM 0 HE3 LYS A 19 -11.763 -7.026 -4.497 1.00 23.34 H new ATOM 0 HZ1 LYS A 19 -12.386 -8.667 -2.725 1.00 24.33 H new ATOM 0 HZ2 LYS A 19 -11.329 -9.248 -3.920 1.00 24.33 H new ATOM 0 HZ3 LYS A 19 -10.731 -8.833 -2.386 1.00 24.33 H new ATOM 287 N ASP A 20 -6.112 -2.508 -3.970 1.00 20.54 N ATOM 288 CA ASP A 20 -4.811 -2.081 -3.488 1.00 3.23 C ATOM 289 C ASP A 20 -4.404 -2.902 -2.282 1.00 45.04 C ATOM 290 O ASP A 20 -5.215 -3.210 -1.405 1.00 63.23 O ATOM 291 CB ASP A 20 -4.789 -0.578 -3.183 1.00 2.42 C ATOM 292 CG ASP A 20 -5.202 -0.198 -1.770 1.00 60.43 C ATOM 293 OD1 ASP A 20 -6.413 -0.210 -1.484 1.00 3.02 O ATOM 294 OD2 ASP A 20 -4.314 0.153 -0.965 1.00 25.15 O ATOM 0 H ASP A 20 -6.869 -1.846 -3.801 1.00 20.54 H new ATOM 0 HA ASP A 20 -4.080 -2.252 -4.278 1.00 3.23 H new ATOM 0 HB2 ASP A 20 -3.782 -0.202 -3.364 1.00 2.42 H new ATOM 0 HB3 ASP A 20 -5.450 -0.071 -3.886 1.00 2.42 H new ATOM 299 N THR A 21 -3.174 -3.340 -2.290 1.00 4.13 N ATOM 300 CA THR A 21 -2.668 -4.107 -1.198 1.00 15.34 C ATOM 301 C THR A 21 -1.460 -3.428 -0.609 1.00 53.32 C ATOM 302 O THR A 21 -0.610 -2.873 -1.321 1.00 53.55 O ATOM 303 CB THR A 21 -2.329 -5.576 -1.577 1.00 62.44 C ATOM 304 OG1 THR A 21 -1.228 -5.624 -2.463 1.00 21.42 O ATOM 305 CG2 THR A 21 -3.508 -6.277 -2.229 1.00 32.31 C ATOM 0 H THR A 21 -2.507 -3.175 -3.044 1.00 4.13 H new ATOM 0 HA THR A 21 -3.466 -4.159 -0.457 1.00 15.34 H new ATOM 0 HB THR A 21 -2.082 -6.090 -0.648 1.00 62.44 H new ATOM 0 HG1 THR A 21 -1.433 -6.229 -3.207 1.00 21.42 H new ATOM 0 HG21 THR A 21 -3.230 -7.301 -2.479 1.00 32.31 H new ATOM 0 HG22 THR A 21 -4.352 -6.288 -1.539 1.00 32.31 H new ATOM 0 HG23 THR A 21 -3.790 -5.746 -3.138 1.00 32.31 H new ATOM 313 N VAL A 22 -1.404 -3.452 0.696 1.00 13.23 N ATOM 314 CA VAL A 22 -0.240 -2.963 1.391 1.00 61.33 C ATOM 315 C VAL A 22 0.364 -4.131 2.129 1.00 40.33 C ATOM 316 O VAL A 22 -0.182 -4.644 3.114 1.00 4.23 O ATOM 317 CB VAL A 22 -0.538 -1.760 2.326 1.00 33.34 C ATOM 318 CG1 VAL A 22 0.689 -1.366 3.139 1.00 4.15 C ATOM 319 CG2 VAL A 22 -1.006 -0.555 1.513 1.00 50.21 C ATOM 0 H VAL A 22 -2.148 -3.804 1.299 1.00 13.23 H new ATOM 0 HA VAL A 22 0.470 -2.561 0.668 1.00 61.33 H new ATOM 0 HB VAL A 22 -1.326 -2.071 3.012 1.00 33.34 H new ATOM 0 HG11 VAL A 22 0.443 -0.521 3.782 1.00 4.15 H new ATOM 0 HG12 VAL A 22 1.005 -2.209 3.753 1.00 4.15 H new ATOM 0 HG13 VAL A 22 1.498 -1.086 2.464 1.00 4.15 H new ATOM 0 HG21 VAL A 22 -1.211 0.279 2.184 1.00 50.21 H new ATOM 0 HG22 VAL A 22 -0.228 -0.269 0.805 1.00 50.21 H new ATOM 0 HG23 VAL A 22 -1.914 -0.814 0.969 1.00 50.21 H new ATOM 329 N THR A 23 1.467 -4.571 1.584 1.00 62.20 N ATOM 330 CA THR A 23 2.104 -5.779 2.002 1.00 60.24 C ATOM 331 C THR A 23 3.289 -5.450 2.911 1.00 30.14 C ATOM 332 O THR A 23 4.264 -4.869 2.485 1.00 31.01 O ATOM 333 CB THR A 23 2.551 -6.556 0.752 1.00 74.11 C ATOM 334 OG1 THR A 23 1.481 -6.612 -0.202 1.00 14.12 O ATOM 335 CG2 THR A 23 2.981 -7.959 1.093 1.00 5.00 C ATOM 0 H THR A 23 1.951 -4.089 0.826 1.00 62.20 H new ATOM 0 HA THR A 23 1.413 -6.399 2.572 1.00 60.24 H new ATOM 0 HB THR A 23 3.404 -6.027 0.327 1.00 74.11 H new ATOM 0 HG1 THR A 23 1.841 -6.484 -1.105 1.00 14.12 H new ATOM 0 HG21 THR A 23 3.290 -8.476 0.184 1.00 5.00 H new ATOM 0 HG22 THR A 23 3.817 -7.924 1.792 1.00 5.00 H new ATOM 0 HG23 THR A 23 2.148 -8.494 1.550 1.00 5.00 H new ATOM 343 N ILE A 24 3.181 -5.797 4.173 1.00 62.02 N ATOM 344 CA ILE A 24 4.199 -5.473 5.156 1.00 61.25 C ATOM 345 C ILE A 24 5.198 -6.623 5.270 1.00 61.41 C ATOM 346 O ILE A 24 4.821 -7.746 5.595 1.00 32.44 O ATOM 347 CB ILE A 24 3.550 -5.204 6.540 1.00 3.44 C ATOM 348 CG1 ILE A 24 2.433 -4.144 6.417 1.00 74.12 C ATOM 349 CG2 ILE A 24 4.597 -4.778 7.569 1.00 12.12 C ATOM 350 CD1 ILE A 24 2.903 -2.749 6.033 1.00 42.20 C ATOM 0 H ILE A 24 2.386 -6.312 4.551 1.00 62.02 H new ATOM 0 HA ILE A 24 4.721 -4.573 4.832 1.00 61.25 H new ATOM 0 HB ILE A 24 3.103 -6.134 6.890 1.00 3.44 H new ATOM 0 HG12 ILE A 24 1.712 -4.484 5.674 1.00 74.12 H new ATOM 0 HG13 ILE A 24 1.906 -4.083 7.369 1.00 74.12 H new ATOM 0 HG21 ILE A 24 4.112 -4.597 8.528 1.00 12.12 H new ATOM 0 HG22 ILE A 24 5.339 -5.568 7.681 1.00 12.12 H new ATOM 0 HG23 ILE A 24 5.088 -3.865 7.232 1.00 12.12 H new ATOM 0 HD11 ILE A 24 2.045 -2.080 5.973 1.00 42.20 H new ATOM 0 HD12 ILE A 24 3.599 -2.380 6.786 1.00 42.20 H new ATOM 0 HD13 ILE A 24 3.402 -2.787 5.065 1.00 42.20 H new ATOM 362 N GLU A 25 6.468 -6.342 5.004 1.00 33.43 N ATOM 363 CA GLU A 25 7.502 -7.346 5.174 1.00 51.10 C ATOM 364 C GLU A 25 8.129 -7.202 6.555 1.00 23.24 C ATOM 365 O GLU A 25 8.860 -6.245 6.848 1.00 10.31 O ATOM 366 CB GLU A 25 8.569 -7.252 4.071 1.00 63.03 C ATOM 367 CG GLU A 25 9.713 -8.245 4.240 1.00 20.31 C ATOM 368 CD GLU A 25 10.613 -8.321 3.032 1.00 42.24 C ATOM 369 OE1 GLU A 25 10.184 -8.897 2.016 1.00 11.01 O ATOM 370 OE2 GLU A 25 11.759 -7.828 3.102 1.00 74.53 O ATOM 0 H GLU A 25 6.801 -5.436 4.673 1.00 33.43 H new ATOM 0 HA GLU A 25 7.045 -8.332 5.090 1.00 51.10 H new ATOM 0 HB2 GLU A 25 8.095 -7.418 3.104 1.00 63.03 H new ATOM 0 HB3 GLU A 25 8.976 -6.241 4.057 1.00 63.03 H new ATOM 0 HG2 GLU A 25 10.306 -7.963 5.110 1.00 20.31 H new ATOM 0 HG3 GLU A 25 9.301 -9.234 4.442 1.00 20.31 H new ATOM 377 N VAL A 26 7.798 -8.162 7.403 1.00 14.03 N ATOM 378 CA VAL A 26 8.303 -8.208 8.758 1.00 73.02 C ATOM 379 C VAL A 26 9.424 -9.234 8.829 1.00 73.12 C ATOM 380 O VAL A 26 9.248 -10.397 8.491 1.00 70.04 O ATOM 381 CB VAL A 26 7.173 -8.534 9.776 1.00 20.41 C ATOM 382 CG1 VAL A 26 7.700 -8.648 11.198 1.00 20.24 C ATOM 383 CG2 VAL A 26 6.089 -7.470 9.720 1.00 31.33 C ATOM 0 H VAL A 26 7.170 -8.931 7.167 1.00 14.03 H new ATOM 0 HA VAL A 26 8.693 -7.227 9.029 1.00 73.02 H new ATOM 0 HB VAL A 26 6.756 -9.501 9.494 1.00 20.41 H new ATOM 0 HG11 VAL A 26 6.876 -8.876 11.874 1.00 20.24 H new ATOM 0 HG12 VAL A 26 8.442 -9.445 11.248 1.00 20.24 H new ATOM 0 HG13 VAL A 26 8.160 -7.705 11.492 1.00 20.24 H new ATOM 0 HG21 VAL A 26 5.305 -7.711 10.438 1.00 31.33 H new ATOM 0 HG22 VAL A 26 6.519 -6.499 9.965 1.00 31.33 H new ATOM 0 HG23 VAL A 26 5.664 -7.436 8.717 1.00 31.33 H new ATOM 393 N LYS A 27 10.577 -8.782 9.239 1.00 72.01 N ATOM 394 CA LYS A 27 11.750 -9.609 9.295 1.00 11.43 C ATOM 395 C LYS A 27 12.425 -9.396 10.627 1.00 60.31 C ATOM 396 O LYS A 27 12.745 -8.260 10.984 1.00 42.10 O ATOM 397 CB LYS A 27 12.666 -9.233 8.144 1.00 41.33 C ATOM 398 CG LYS A 27 13.802 -10.198 7.874 1.00 64.41 C ATOM 399 CD LYS A 27 14.490 -9.859 6.560 1.00 51.41 C ATOM 400 CE LYS A 27 13.515 -9.937 5.388 1.00 31.15 C ATOM 401 NZ LYS A 27 14.105 -9.440 4.123 1.00 44.35 N ATOM 0 H LYS A 27 10.730 -7.821 9.546 1.00 72.01 H new ATOM 0 HA LYS A 27 11.494 -10.664 9.201 1.00 11.43 H new ATOM 0 HB2 LYS A 27 12.065 -9.143 7.239 1.00 41.33 H new ATOM 0 HB3 LYS A 27 13.088 -8.249 8.345 1.00 41.33 H new ATOM 0 HG2 LYS A 27 14.523 -10.157 8.690 1.00 64.41 H new ATOM 0 HG3 LYS A 27 13.419 -11.218 7.838 1.00 64.41 H new ATOM 0 HD2 LYS A 27 14.914 -8.857 6.617 1.00 51.41 H new ATOM 0 HD3 LYS A 27 15.319 -10.547 6.393 1.00 51.41 H new ATOM 0 HE2 LYS A 27 13.195 -10.970 5.254 1.00 31.15 H new ATOM 0 HE3 LYS A 27 12.624 -9.355 5.622 1.00 31.15 H new ATOM 0 HZ1 LYS A 27 13.410 -8.847 3.625 1.00 44.35 H new ATOM 0 HZ2 LYS A 27 14.954 -8.877 4.333 1.00 44.35 H new ATOM 0 HZ3 LYS A 27 14.366 -10.247 3.521 1.00 44.35 H new ATOM 415 N ASN A 28 12.612 -10.506 11.349 1.00 24.34 N ATOM 416 CA ASN A 28 13.148 -10.524 12.721 1.00 3.10 C ATOM 417 C ASN A 28 12.277 -9.705 13.688 1.00 55.42 C ATOM 418 O ASN A 28 12.791 -8.984 14.550 1.00 73.14 O ATOM 419 CB ASN A 28 14.607 -10.038 12.752 1.00 4.15 C ATOM 420 CG ASN A 28 15.558 -10.971 12.036 1.00 70.41 C ATOM 421 OD1 ASN A 28 16.059 -11.928 12.613 1.00 34.10 O ATOM 422 ND2 ASN A 28 15.843 -10.675 10.781 1.00 45.52 N ATOM 0 H ASN A 28 12.392 -11.436 10.993 1.00 24.34 H new ATOM 0 HA ASN A 28 13.126 -11.559 13.061 1.00 3.10 H new ATOM 0 HB2 ASN A 28 14.664 -9.050 12.296 1.00 4.15 H new ATOM 0 HB3 ASN A 28 14.926 -9.929 13.789 1.00 4.15 H new ATOM 0 HD21 ASN A 28 16.501 -11.252 10.258 1.00 45.52 H new ATOM 0 HD22 ASN A 28 15.405 -9.869 10.335 1.00 45.52 H new ATOM 429 N GLY A 29 10.950 -9.838 13.542 1.00 11.43 N ATOM 430 CA GLY A 29 10.000 -9.153 14.418 1.00 44.33 C ATOM 431 C GLY A 29 9.699 -7.702 14.052 1.00 33.32 C ATOM 432 O GLY A 29 8.712 -7.146 14.536 1.00 65.43 O ATOM 0 H GLY A 29 10.514 -10.416 12.823 1.00 11.43 H new ATOM 0 HA2 GLY A 29 9.064 -9.711 14.418 1.00 44.33 H new ATOM 0 HA3 GLY A 29 10.387 -9.180 15.437 1.00 44.33 H new ATOM 436 N LYS A 30 10.527 -7.085 13.213 1.00 24.31 N ATOM 437 CA LYS A 30 10.384 -5.665 12.887 1.00 5.34 C ATOM 438 C LYS A 30 10.137 -5.468 11.394 1.00 43.52 C ATOM 439 O LYS A 30 10.424 -6.350 10.601 1.00 55.42 O ATOM 440 CB LYS A 30 11.640 -4.898 13.325 1.00 33.22 C ATOM 441 CG LYS A 30 12.934 -5.373 12.669 1.00 40.11 C ATOM 442 CD LYS A 30 14.123 -4.515 13.067 1.00 61.32 C ATOM 443 CE LYS A 30 14.422 -4.617 14.553 1.00 73.14 C ATOM 444 NZ LYS A 30 15.561 -3.757 14.946 1.00 34.01 N ATOM 0 H LYS A 30 11.307 -7.546 12.744 1.00 24.31 H new ATOM 0 HA LYS A 30 9.521 -5.274 13.426 1.00 5.34 H new ATOM 0 HB2 LYS A 30 11.501 -3.840 13.101 1.00 33.22 H new ATOM 0 HB3 LYS A 30 11.743 -4.983 14.407 1.00 33.22 H new ATOM 0 HG2 LYS A 30 13.124 -6.409 12.951 1.00 40.11 H new ATOM 0 HG3 LYS A 30 12.819 -5.353 11.585 1.00 40.11 H new ATOM 0 HD2 LYS A 30 15.000 -4.823 12.498 1.00 61.32 H new ATOM 0 HD3 LYS A 30 13.924 -3.475 12.807 1.00 61.32 H new ATOM 0 HE2 LYS A 30 13.537 -4.331 15.122 1.00 73.14 H new ATOM 0 HE3 LYS A 30 14.644 -5.653 14.809 1.00 73.14 H new ATOM 0 HZ1 LYS A 30 15.734 -3.855 15.967 1.00 34.01 H new ATOM 0 HZ2 LYS A 30 16.411 -4.046 14.422 1.00 34.01 H new ATOM 0 HZ3 LYS A 30 15.339 -2.765 14.726 1.00 34.01 H new ATOM 458 N ILE A 31 9.615 -4.308 11.009 1.00 22.52 N ATOM 459 CA ILE A 31 9.366 -4.016 9.598 1.00 53.40 C ATOM 460 C ILE A 31 10.662 -3.550 8.930 1.00 43.23 C ATOM 461 O ILE A 31 11.205 -2.509 9.277 1.00 4.31 O ATOM 462 CB ILE A 31 8.270 -2.931 9.422 1.00 21.11 C ATOM 463 CG1 ILE A 31 6.996 -3.314 10.195 1.00 41.52 C ATOM 464 CG2 ILE A 31 7.952 -2.721 7.939 1.00 40.33 C ATOM 465 CD1 ILE A 31 5.929 -2.235 10.203 1.00 62.13 C ATOM 0 H ILE A 31 9.357 -3.557 11.649 1.00 22.52 H new ATOM 0 HA ILE A 31 9.012 -4.932 9.125 1.00 53.40 H new ATOM 0 HB ILE A 31 8.651 -1.994 9.829 1.00 21.11 H new ATOM 0 HG12 ILE A 31 6.578 -4.221 9.758 1.00 41.52 H new ATOM 0 HG13 ILE A 31 7.266 -3.551 11.224 1.00 41.52 H new ATOM 0 HG21 ILE A 31 7.182 -1.957 7.837 1.00 40.33 H new ATOM 0 HG22 ILE A 31 8.853 -2.401 7.416 1.00 40.33 H new ATOM 0 HG23 ILE A 31 7.595 -3.656 7.507 1.00 40.33 H new ATOM 0 HD11 ILE A 31 5.064 -2.583 10.768 1.00 62.13 H new ATOM 0 HD12 ILE A 31 6.327 -1.333 10.668 1.00 62.13 H new ATOM 0 HD13 ILE A 31 5.628 -2.013 9.179 1.00 62.13 H new ATOM 477 N VAL A 32 11.169 -4.329 7.992 1.00 42.53 N ATOM 478 CA VAL A 32 12.398 -3.952 7.306 1.00 30.34 C ATOM 479 C VAL A 32 12.106 -3.455 5.892 1.00 70.34 C ATOM 480 O VAL A 32 12.943 -2.791 5.272 1.00 23.23 O ATOM 481 CB VAL A 32 13.429 -5.109 7.258 1.00 12.11 C ATOM 482 CG1 VAL A 32 13.739 -5.618 8.660 1.00 24.12 C ATOM 483 CG2 VAL A 32 12.962 -6.250 6.361 1.00 62.24 C ATOM 0 H VAL A 32 10.760 -5.213 7.689 1.00 42.53 H new ATOM 0 HA VAL A 32 12.839 -3.141 7.886 1.00 30.34 H new ATOM 0 HB VAL A 32 14.345 -4.708 6.825 1.00 12.11 H new ATOM 0 HG11 VAL A 32 14.465 -6.429 8.600 1.00 24.12 H new ATOM 0 HG12 VAL A 32 14.151 -4.806 9.259 1.00 24.12 H new ATOM 0 HG13 VAL A 32 12.823 -5.983 9.125 1.00 24.12 H new ATOM 0 HG21 VAL A 32 13.713 -7.040 6.356 1.00 62.24 H new ATOM 0 HG22 VAL A 32 12.020 -6.648 6.739 1.00 62.24 H new ATOM 0 HG23 VAL A 32 12.818 -5.879 5.346 1.00 62.24 H new ATOM 493 N SER A 33 10.911 -3.774 5.397 1.00 63.54 N ATOM 494 CA SER A 33 10.538 -3.465 4.037 1.00 45.44 C ATOM 495 C SER A 33 9.022 -3.423 3.931 1.00 61.32 C ATOM 496 O SER A 33 8.315 -3.934 4.800 1.00 54.32 O ATOM 497 CB SER A 33 11.125 -4.515 3.080 1.00 73.13 C ATOM 498 OG SER A 33 10.979 -4.140 1.720 1.00 23.11 O ATOM 0 H SER A 33 10.185 -4.251 5.932 1.00 63.54 H new ATOM 0 HA SER A 33 10.938 -2.490 3.757 1.00 45.44 H new ATOM 0 HB2 SER A 33 12.182 -4.658 3.304 1.00 73.13 H new ATOM 0 HB3 SER A 33 10.631 -5.472 3.246 1.00 73.13 H new ATOM 0 HG SER A 33 11.366 -4.833 1.146 1.00 23.11 H new ATOM 504 N VAL A 34 8.536 -2.796 2.882 1.00 71.35 N ATOM 505 CA VAL A 34 7.119 -2.738 2.610 1.00 43.13 C ATOM 506 C VAL A 34 6.894 -2.760 1.096 1.00 45.35 C ATOM 507 O VAL A 34 7.646 -2.166 0.314 1.00 23.12 O ATOM 508 CB VAL A 34 6.441 -1.522 3.330 1.00 53.25 C ATOM 509 CG1 VAL A 34 7.074 -0.213 2.930 1.00 32.51 C ATOM 510 CG2 VAL A 34 4.937 -1.475 3.095 1.00 53.35 C ATOM 0 H VAL A 34 9.113 -2.312 2.194 1.00 71.35 H new ATOM 0 HA VAL A 34 6.629 -3.618 3.026 1.00 43.13 H new ATOM 0 HB VAL A 34 6.605 -1.671 4.397 1.00 53.25 H new ATOM 0 HG11 VAL A 34 6.577 0.606 3.450 1.00 32.51 H new ATOM 0 HG12 VAL A 34 8.131 -0.223 3.197 1.00 32.51 H new ATOM 0 HG13 VAL A 34 6.973 -0.074 1.854 1.00 32.51 H new ATOM 0 HG21 VAL A 34 4.514 -0.615 3.614 1.00 53.35 H new ATOM 0 HG22 VAL A 34 4.738 -1.388 2.027 1.00 53.35 H new ATOM 0 HG23 VAL A 34 4.481 -2.389 3.475 1.00 53.35 H new ATOM 520 N ASP A 35 5.890 -3.511 0.718 1.00 14.22 N ATOM 521 CA ASP A 35 5.574 -3.828 -0.649 1.00 51.13 C ATOM 522 C ASP A 35 4.317 -3.101 -1.084 1.00 72.25 C ATOM 523 O ASP A 35 3.344 -2.994 -0.330 1.00 43.24 O ATOM 524 CB ASP A 35 5.388 -5.347 -0.770 1.00 0.12 C ATOM 525 CG ASP A 35 4.956 -5.803 -2.144 1.00 44.42 C ATOM 526 OD1 ASP A 35 5.805 -5.830 -3.053 1.00 71.23 O ATOM 527 OD2 ASP A 35 3.766 -6.129 -2.315 1.00 34.51 O ATOM 0 H ASP A 35 5.244 -3.935 1.384 1.00 14.22 H new ATOM 0 HA ASP A 35 6.387 -3.506 -1.299 1.00 51.13 H new ATOM 0 HB2 ASP A 35 6.326 -5.840 -0.512 1.00 0.12 H new ATOM 0 HB3 ASP A 35 4.646 -5.672 -0.040 1.00 0.12 H new ATOM 532 N TRP A 36 4.361 -2.590 -2.293 1.00 75.24 N ATOM 533 CA TRP A 36 3.209 -1.983 -2.904 1.00 72.22 C ATOM 534 C TRP A 36 2.746 -2.810 -4.092 1.00 31.14 C ATOM 535 O TRP A 36 3.495 -3.059 -5.043 1.00 23.31 O ATOM 536 CB TRP A 36 3.463 -0.517 -3.281 1.00 51.52 C ATOM 537 CG TRP A 36 4.888 -0.134 -3.574 1.00 62.21 C ATOM 538 CD1 TRP A 36 5.788 0.376 -2.683 1.00 54.51 C ATOM 539 CD2 TRP A 36 5.568 -0.195 -4.836 1.00 12.24 C ATOM 540 NE1 TRP A 36 6.978 0.625 -3.308 1.00 11.14 N ATOM 541 CE2 TRP A 36 6.870 0.285 -4.627 1.00 72.30 C ATOM 542 CE3 TRP A 36 5.203 -0.609 -6.118 1.00 22.32 C ATOM 543 CZ2 TRP A 36 7.811 0.358 -5.651 1.00 34.34 C ATOM 544 CZ3 TRP A 36 6.134 -0.537 -7.132 1.00 72.20 C ATOM 545 CH2 TRP A 36 7.422 -0.054 -6.895 1.00 32.14 C ATOM 0 H TRP A 36 5.197 -2.585 -2.877 1.00 75.24 H new ATOM 0 HA TRP A 36 2.403 -1.970 -2.170 1.00 72.22 H new ATOM 0 HB2 TRP A 36 2.860 -0.281 -4.158 1.00 51.52 H new ATOM 0 HB3 TRP A 36 3.102 0.112 -2.467 1.00 51.52 H new ATOM 0 HD1 TRP A 36 5.589 0.556 -1.637 1.00 54.51 H new ATOM 0 HE1 TRP A 36 7.813 1.004 -2.861 1.00 11.14 H new ATOM 0 HE3 TRP A 36 4.207 -0.980 -6.312 1.00 22.32 H new ATOM 0 HZ2 TRP A 36 8.810 0.726 -5.469 1.00 34.34 H new ATOM 0 HZ3 TRP A 36 5.862 -0.860 -8.126 1.00 72.20 H new ATOM 0 HH2 TRP A 36 8.126 -0.005 -7.712 1.00 32.14 H new ATOM 556 N ASN A 37 1.507 -3.253 -4.004 1.00 22.13 N ATOM 557 CA ASN A 37 0.918 -4.157 -4.970 1.00 25.12 C ATOM 558 C ASN A 37 -0.564 -3.801 -5.114 1.00 52.22 C ATOM 559 O ASN A 37 -1.102 -3.047 -4.302 1.00 33.11 O ATOM 560 CB ASN A 37 1.151 -5.614 -4.481 1.00 51.34 C ATOM 561 CG ASN A 37 0.475 -6.711 -5.297 1.00 32.53 C ATOM 562 OD1 ASN A 37 -0.657 -7.109 -5.017 1.00 2.43 O ATOM 563 ND2 ASN A 37 1.164 -7.222 -6.296 1.00 33.14 N ATOM 0 H ASN A 37 0.873 -2.991 -3.249 1.00 22.13 H new ATOM 0 HA ASN A 37 1.375 -4.068 -5.956 1.00 25.12 H new ATOM 0 HB2 ASN A 37 2.224 -5.805 -4.471 1.00 51.34 H new ATOM 0 HB3 ASN A 37 0.804 -5.690 -3.450 1.00 51.34 H new ATOM 0 HD21 ASN A 37 0.763 -7.969 -6.863 1.00 33.14 H new ATOM 0 HD22 ASN A 37 2.099 -6.871 -6.503 1.00 33.14 H new ATOM 570 N ALA A 38 -1.187 -4.262 -6.182 1.00 61.35 N ATOM 571 CA ALA A 38 -2.620 -4.170 -6.365 1.00 53.21 C ATOM 572 C ALA A 38 -3.065 -5.335 -7.223 1.00 61.21 C ATOM 573 O ALA A 38 -2.310 -5.791 -8.077 1.00 43.53 O ATOM 574 CB ALA A 38 -3.020 -2.841 -6.993 1.00 51.21 C ATOM 0 H ALA A 38 -0.704 -4.717 -6.957 1.00 61.35 H new ATOM 0 HA ALA A 38 -3.113 -4.215 -5.394 1.00 53.21 H new ATOM 0 HB1 ALA A 38 -4.103 -2.808 -7.115 1.00 51.21 H new ATOM 0 HB2 ALA A 38 -2.702 -2.023 -6.347 1.00 51.21 H new ATOM 0 HB3 ALA A 38 -2.542 -2.740 -7.967 1.00 51.21 H new ATOM 580 N ILE A 39 -4.277 -5.812 -7.001 1.00 1.04 N ATOM 581 CA ILE A 39 -4.752 -7.025 -7.647 1.00 43.44 C ATOM 582 C ILE A 39 -5.638 -6.676 -8.836 1.00 42.01 C ATOM 583 O ILE A 39 -6.583 -5.891 -8.709 1.00 50.43 O ATOM 584 CB ILE A 39 -5.520 -7.941 -6.656 1.00 2.41 C ATOM 585 CG1 ILE A 39 -4.718 -8.107 -5.353 1.00 42.51 C ATOM 586 CG2 ILE A 39 -5.774 -9.306 -7.295 1.00 62.32 C ATOM 587 CD1 ILE A 39 -5.446 -8.861 -4.260 1.00 10.20 C ATOM 0 H ILE A 39 -4.954 -5.376 -6.375 1.00 1.04 H new ATOM 0 HA ILE A 39 -3.880 -7.576 -7.998 1.00 43.44 H new ATOM 0 HB ILE A 39 -6.478 -7.478 -6.420 1.00 2.41 H new ATOM 0 HG12 ILE A 39 -3.787 -8.627 -5.578 1.00 42.51 H new ATOM 0 HG13 ILE A 39 -4.449 -7.119 -4.978 1.00 42.51 H new ATOM 0 HG21 ILE A 39 -6.313 -9.942 -6.593 1.00 62.32 H new ATOM 0 HG22 ILE A 39 -6.368 -9.179 -8.200 1.00 62.32 H new ATOM 0 HG23 ILE A 39 -4.822 -9.772 -7.549 1.00 62.32 H new ATOM 0 HD11 ILE A 39 -4.808 -8.931 -3.379 1.00 10.20 H new ATOM 0 HD12 ILE A 39 -6.364 -8.332 -4.002 1.00 10.20 H new ATOM 0 HD13 ILE A 39 -5.691 -9.863 -4.611 1.00 10.20 H new ATOM 599 N ASN A 40 -5.298 -7.252 -9.986 1.00 54.41 N ATOM 600 CA ASN A 40 -6.005 -6.998 -11.236 1.00 72.20 C ATOM 601 C ASN A 40 -7.347 -7.727 -11.258 1.00 43.25 C ATOM 602 O ASN A 40 -7.413 -8.940 -11.044 1.00 11.31 O ATOM 603 CB ASN A 40 -5.130 -7.435 -12.414 1.00 51.45 C ATOM 604 CG ASN A 40 -5.682 -7.058 -13.774 1.00 24.23 C ATOM 605 OD1 ASN A 40 -6.373 -7.839 -14.406 1.00 15.12 O ATOM 606 ND2 ASN A 40 -5.375 -5.858 -14.233 1.00 42.13 N ATOM 0 H ASN A 40 -4.523 -7.909 -10.076 1.00 54.41 H new ATOM 0 HA ASN A 40 -6.207 -5.930 -11.320 1.00 72.20 H new ATOM 0 HB2 ASN A 40 -4.141 -6.992 -12.301 1.00 51.45 H new ATOM 0 HB3 ASN A 40 -5.001 -8.517 -12.374 1.00 51.45 H new ATOM 0 HD21 ASN A 40 -5.719 -5.558 -15.145 1.00 42.13 H new ATOM 0 HD22 ASN A 40 -4.794 -5.232 -13.675 1.00 42.13 H new ATOM 613 N LYS A 41 -8.400 -6.957 -11.522 1.00 12.22 N ATOM 614 CA LYS A 41 -9.778 -7.449 -11.553 1.00 4.13 C ATOM 615 C LYS A 41 -10.036 -8.381 -12.740 1.00 52.15 C ATOM 616 O LYS A 41 -10.736 -9.385 -12.601 1.00 52.12 O ATOM 617 CB LYS A 41 -10.730 -6.246 -11.613 1.00 15.50 C ATOM 618 CG LYS A 41 -12.209 -6.596 -11.674 1.00 44.42 C ATOM 619 CD LYS A 41 -13.035 -5.381 -12.041 1.00 33.32 C ATOM 620 CE LYS A 41 -14.514 -5.716 -12.190 1.00 24.20 C ATOM 621 NZ LYS A 41 -14.779 -6.595 -13.360 1.00 42.04 N ATOM 0 H LYS A 41 -8.321 -5.960 -11.723 1.00 12.22 H new ATOM 0 HA LYS A 41 -9.952 -8.032 -10.649 1.00 4.13 H new ATOM 0 HB2 LYS A 41 -10.556 -5.621 -10.737 1.00 15.50 H new ATOM 0 HB3 LYS A 41 -10.478 -5.646 -12.488 1.00 15.50 H new ATOM 0 HG2 LYS A 41 -12.370 -7.386 -12.408 1.00 44.42 H new ATOM 0 HG3 LYS A 41 -12.535 -6.985 -10.710 1.00 44.42 H new ATOM 0 HD2 LYS A 41 -12.913 -4.615 -11.275 1.00 33.32 H new ATOM 0 HD3 LYS A 41 -12.663 -4.959 -12.975 1.00 33.32 H new ATOM 0 HE2 LYS A 41 -14.866 -6.207 -11.283 1.00 24.20 H new ATOM 0 HE3 LYS A 41 -15.084 -4.793 -12.295 1.00 24.20 H new ATOM 0 HZ1 LYS A 41 -15.805 -6.672 -13.511 1.00 42.04 H new ATOM 0 HZ2 LYS A 41 -14.333 -6.189 -14.207 1.00 42.04 H new ATOM 0 HZ3 LYS A 41 -14.384 -7.540 -13.181 1.00 42.04 H new ATOM 635 N ASP A 42 -9.435 -8.056 -13.885 1.00 11.25 N ATOM 636 CA ASP A 42 -9.742 -8.716 -15.154 1.00 65.44 C ATOM 637 C ASP A 42 -9.139 -10.130 -15.228 1.00 71.34 C ATOM 638 O ASP A 42 -9.746 -11.044 -15.794 1.00 42.11 O ATOM 639 CB ASP A 42 -9.245 -7.834 -16.306 1.00 72.03 C ATOM 640 CG ASP A 42 -9.628 -8.362 -17.670 1.00 44.14 C ATOM 641 OD1 ASP A 42 -10.836 -8.427 -17.971 1.00 35.40 O ATOM 642 OD2 ASP A 42 -8.724 -8.712 -18.444 1.00 44.05 O ATOM 0 H ASP A 42 -8.723 -7.329 -13.959 1.00 11.25 H new ATOM 0 HA ASP A 42 -10.822 -8.841 -15.234 1.00 65.44 H new ATOM 0 HB2 ASP A 42 -9.650 -6.829 -16.186 1.00 72.03 H new ATOM 0 HB3 ASP A 42 -8.160 -7.750 -16.248 1.00 72.03 H new ATOM 647 N GLY A 43 -7.967 -10.309 -14.635 1.00 3.13 N ATOM 648 CA GLY A 43 -7.364 -11.622 -14.564 1.00 4.22 C ATOM 649 C GLY A 43 -6.066 -11.737 -15.327 1.00 51.53 C ATOM 650 O GLY A 43 -5.894 -12.662 -16.121 1.00 42.42 O ATOM 0 H GLY A 43 -7.422 -9.564 -14.201 1.00 3.13 H new ATOM 0 HA2 GLY A 43 -7.184 -11.873 -13.519 1.00 4.22 H new ATOM 0 HA3 GLY A 43 -8.069 -12.357 -14.952 1.00 4.22 H new ATOM 654 N GLY A 44 -5.158 -10.797 -15.095 1.00 75.31 N ATOM 655 CA GLY A 44 -3.825 -10.889 -15.660 1.00 52.42 C ATOM 656 C GLY A 44 -2.786 -11.108 -14.583 1.00 42.10 C ATOM 657 O GLY A 44 -2.890 -12.052 -13.793 1.00 41.44 O ATOM 0 H GLY A 44 -5.322 -9.969 -14.523 1.00 75.31 H new ATOM 0 HA2 GLY A 44 -3.787 -11.709 -16.377 1.00 52.42 H new ATOM 0 HA3 GLY A 44 -3.596 -9.975 -16.209 1.00 52.42 H new ATOM 661 N ASP A 45 -1.786 -10.243 -14.553 1.00 71.12 N ATOM 662 CA ASP A 45 -0.817 -10.225 -13.459 1.00 14.52 C ATOM 663 C ASP A 45 -1.184 -9.100 -12.498 1.00 24.43 C ATOM 664 O ASP A 45 -2.151 -8.383 -12.733 1.00 11.01 O ATOM 665 CB ASP A 45 0.610 -10.024 -13.979 1.00 33.32 C ATOM 666 CG ASP A 45 1.085 -11.137 -14.881 1.00 41.41 C ATOM 667 OD1 ASP A 45 1.507 -12.187 -14.368 1.00 42.44 O ATOM 668 OD2 ASP A 45 1.062 -10.953 -16.110 1.00 33.13 O ATOM 0 H ASP A 45 -1.620 -9.540 -15.274 1.00 71.12 H new ATOM 0 HA ASP A 45 -0.848 -11.186 -12.946 1.00 14.52 H new ATOM 0 HB2 ASP A 45 0.661 -9.080 -14.522 1.00 33.32 H new ATOM 0 HB3 ASP A 45 1.289 -9.940 -13.130 1.00 33.32 H new ATOM 673 N ASP A 46 -0.409 -8.921 -11.436 1.00 14.33 N ATOM 674 CA ASP A 46 -0.690 -7.856 -10.470 1.00 44.03 C ATOM 675 C ASP A 46 0.096 -6.591 -10.814 1.00 3.35 C ATOM 676 O ASP A 46 0.709 -6.532 -11.866 1.00 33.24 O ATOM 677 CB ASP A 46 -0.408 -8.321 -9.044 1.00 45.14 C ATOM 678 CG ASP A 46 -1.444 -9.292 -8.546 1.00 12.45 C ATOM 679 OD1 ASP A 46 -2.646 -9.078 -8.809 1.00 12.33 O ATOM 680 OD2 ASP A 46 -1.057 -10.286 -7.913 1.00 43.24 O ATOM 0 H ASP A 46 0.410 -9.489 -11.219 1.00 14.33 H new ATOM 0 HA ASP A 46 -1.751 -7.613 -10.529 1.00 44.03 H new ATOM 0 HB2 ASP A 46 0.575 -8.790 -9.005 1.00 45.14 H new ATOM 0 HB3 ASP A 46 -0.375 -7.456 -8.382 1.00 45.14 H new ATOM 685 N LYS A 47 0.037 -5.574 -9.940 1.00 14.24 N ATOM 686 CA LYS A 47 0.603 -4.225 -10.200 1.00 42.01 C ATOM 687 C LYS A 47 2.085 -4.250 -10.619 1.00 12.22 C ATOM 688 O LYS A 47 2.429 -3.730 -11.682 1.00 63.14 O ATOM 689 CB LYS A 47 0.414 -3.355 -8.946 1.00 62.41 C ATOM 690 CG LYS A 47 0.870 -1.900 -9.078 1.00 25.32 C ATOM 691 CD LYS A 47 0.047 -1.114 -10.091 1.00 34.04 C ATOM 692 CE LYS A 47 -1.345 -0.784 -9.585 1.00 11.33 C ATOM 693 NZ LYS A 47 -2.150 -0.105 -10.627 1.00 35.31 N ATOM 0 H LYS A 47 -0.406 -5.657 -9.025 1.00 14.24 H new ATOM 0 HA LYS A 47 0.063 -3.802 -11.047 1.00 42.01 H new ATOM 0 HB2 LYS A 47 -0.642 -3.363 -8.675 1.00 62.41 H new ATOM 0 HB3 LYS A 47 0.958 -3.815 -8.121 1.00 62.41 H new ATOM 0 HG2 LYS A 47 0.802 -1.413 -8.105 1.00 25.32 H new ATOM 0 HG3 LYS A 47 1.919 -1.878 -9.373 1.00 25.32 H new ATOM 0 HD2 LYS A 47 0.568 -0.189 -10.337 1.00 34.04 H new ATOM 0 HD3 LYS A 47 -0.033 -1.690 -11.013 1.00 34.04 H new ATOM 0 HE2 LYS A 47 -1.848 -1.700 -9.274 1.00 11.33 H new ATOM 0 HE3 LYS A 47 -1.272 -0.145 -8.705 1.00 11.33 H new ATOM 0 HZ1 LYS A 47 -2.551 0.772 -10.239 1.00 35.31 H new ATOM 0 HZ2 LYS A 47 -1.544 0.122 -11.441 1.00 35.31 H new ATOM 0 HZ3 LYS A 47 -2.921 -0.732 -10.934 1.00 35.31 H new ATOM 707 N ASP A 48 2.926 -4.887 -9.815 1.00 31.11 N ATOM 708 CA ASP A 48 4.370 -4.952 -10.073 1.00 51.14 C ATOM 709 C ASP A 48 4.705 -6.004 -11.137 1.00 61.40 C ATOM 710 O ASP A 48 5.656 -5.840 -11.897 1.00 33.31 O ATOM 711 CB ASP A 48 5.128 -5.268 -8.772 1.00 62.14 C ATOM 712 CG ASP A 48 4.763 -6.628 -8.213 1.00 20.55 C ATOM 713 OD1 ASP A 48 3.659 -6.756 -7.656 1.00 42.41 O ATOM 714 OD2 ASP A 48 5.556 -7.583 -8.363 1.00 21.35 O ATOM 0 H ASP A 48 2.634 -5.373 -8.967 1.00 31.11 H new ATOM 0 HA ASP A 48 4.683 -3.978 -10.449 1.00 51.14 H new ATOM 0 HB2 ASP A 48 6.201 -5.231 -8.960 1.00 62.14 H new ATOM 0 HB3 ASP A 48 4.908 -4.501 -8.030 1.00 62.14 H new ATOM 719 N THR A 49 3.904 -7.074 -11.181 1.00 62.13 N ATOM 720 CA THR A 49 4.147 -8.213 -12.055 1.00 62.00 C ATOM 721 C THR A 49 3.815 -7.872 -13.511 1.00 33.40 C ATOM 722 O THR A 49 4.502 -8.307 -14.427 1.00 64.33 O ATOM 723 CB THR A 49 3.312 -9.422 -11.584 1.00 42.24 C ATOM 724 OG1 THR A 49 3.264 -9.445 -10.147 1.00 23.22 O ATOM 725 CG2 THR A 49 3.915 -10.728 -12.080 1.00 11.10 C ATOM 0 H THR A 49 3.067 -7.169 -10.606 1.00 62.13 H new ATOM 0 HA THR A 49 5.206 -8.466 -12.003 1.00 62.00 H new ATOM 0 HB THR A 49 2.307 -9.321 -11.993 1.00 42.24 H new ATOM 0 HG1 THR A 49 2.732 -10.212 -9.850 1.00 23.22 H new ATOM 0 HG21 THR A 49 3.307 -11.564 -11.734 1.00 11.10 H new ATOM 0 HG22 THR A 49 3.942 -10.726 -13.170 1.00 11.10 H new ATOM 0 HG23 THR A 49 4.928 -10.831 -11.692 1.00 11.10 H new ATOM 733 N LEU A 50 2.777 -7.060 -13.696 1.00 53.41 N ATOM 734 CA LEU A 50 2.393 -6.541 -15.001 1.00 73.23 C ATOM 735 C LEU A 50 3.397 -5.527 -15.522 1.00 51.00 C ATOM 736 O LEU A 50 3.627 -5.461 -16.717 1.00 61.52 O ATOM 737 CB LEU A 50 0.997 -5.916 -14.958 1.00 72.42 C ATOM 738 CG LEU A 50 -0.148 -6.848 -15.354 1.00 12.22 C ATOM 739 CD1 LEU A 50 -1.472 -6.130 -15.249 1.00 31.34 C ATOM 740 CD2 LEU A 50 0.047 -7.376 -16.766 1.00 64.22 C ATOM 0 H LEU A 50 2.175 -6.743 -12.936 1.00 53.41 H new ATOM 0 HA LEU A 50 2.378 -7.389 -15.686 1.00 73.23 H new ATOM 0 HB2 LEU A 50 0.812 -5.549 -13.948 1.00 72.42 H new ATOM 0 HB3 LEU A 50 0.984 -5.050 -15.620 1.00 72.42 H new ATOM 0 HG LEU A 50 -0.148 -7.694 -14.666 1.00 12.22 H new ATOM 0 HD11 LEU A 50 -2.277 -6.807 -15.534 1.00 31.34 H new ATOM 0 HD12 LEU A 50 -1.625 -5.797 -14.222 1.00 31.34 H new ATOM 0 HD13 LEU A 50 -1.471 -5.267 -15.914 1.00 31.34 H new ATOM 0 HD21 LEU A 50 -0.780 -8.037 -17.025 1.00 64.22 H new ATOM 0 HD22 LEU A 50 0.077 -6.541 -17.466 1.00 64.22 H new ATOM 0 HD23 LEU A 50 0.984 -7.930 -16.821 1.00 64.22 H new ATOM 752 N SER A 51 3.996 -4.745 -14.623 1.00 35.32 N ATOM 753 CA SER A 51 5.025 -3.777 -15.007 1.00 35.42 C ATOM 754 C SER A 51 6.323 -4.492 -15.416 1.00 24.12 C ATOM 755 O SER A 51 7.017 -4.053 -16.330 1.00 52.43 O ATOM 756 CB SER A 51 5.281 -2.808 -13.857 1.00 4.42 C ATOM 757 OG SER A 51 4.081 -2.168 -13.464 1.00 61.34 O ATOM 0 H SER A 51 3.787 -4.763 -13.625 1.00 35.32 H new ATOM 0 HA SER A 51 4.670 -3.213 -15.869 1.00 35.42 H new ATOM 0 HB2 SER A 51 5.706 -3.346 -13.010 1.00 4.42 H new ATOM 0 HB3 SER A 51 6.014 -2.061 -14.161 1.00 4.42 H new ATOM 0 HG SER A 51 3.584 -2.751 -12.852 1.00 61.34 H new ATOM 763 N ARG A 52 6.608 -5.617 -14.752 1.00 44.13 N ATOM 764 CA ARG A 52 7.760 -6.465 -15.063 1.00 44.21 C ATOM 765 C ARG A 52 7.570 -7.182 -16.411 1.00 1.50 C ATOM 766 O ARG A 52 8.501 -7.263 -17.210 1.00 70.33 O ATOM 767 CB ARG A 52 7.952 -7.482 -13.917 1.00 53.13 C ATOM 768 CG ARG A 52 9.084 -8.488 -14.110 1.00 21.42 C ATOM 769 CD ARG A 52 10.460 -7.834 -14.112 1.00 22.32 C ATOM 770 NE ARG A 52 11.528 -8.823 -14.282 1.00 32.53 N ATOM 771 CZ ARG A 52 12.825 -8.537 -14.438 1.00 33.00 C ATOM 772 NH1 ARG A 52 13.243 -7.280 -14.525 1.00 51.22 N ATOM 773 NH2 ARG A 52 13.707 -9.523 -14.531 1.00 64.42 N ATOM 0 H ARG A 52 6.041 -5.966 -13.979 1.00 44.13 H new ATOM 0 HA ARG A 52 8.653 -5.846 -15.152 1.00 44.21 H new ATOM 0 HB2 ARG A 52 8.133 -6.932 -12.994 1.00 53.13 H new ATOM 0 HB3 ARG A 52 7.020 -8.032 -13.783 1.00 53.13 H new ATOM 0 HG2 ARG A 52 9.042 -9.233 -13.315 1.00 21.42 H new ATOM 0 HG3 ARG A 52 8.937 -9.018 -15.051 1.00 21.42 H new ATOM 0 HD2 ARG A 52 10.513 -7.099 -14.915 1.00 22.32 H new ATOM 0 HD3 ARG A 52 10.608 -7.295 -13.176 1.00 22.32 H new ATOM 0 HE ARG A 52 11.261 -9.807 -14.281 1.00 32.53 H new ATOM 0 HH11 ARG A 52 12.571 -6.514 -14.473 1.00 51.22 H new ATOM 0 HH12 ARG A 52 14.236 -7.080 -14.644 1.00 51.22 H new ATOM 0 HH21 ARG A 52 13.395 -10.493 -14.483 1.00 64.42 H new ATOM 0 HH22 ARG A 52 14.698 -9.312 -14.650 1.00 64.42 H new ATOM 787 N ASN A 53 6.350 -7.663 -16.667 1.00 30.31 N ATOM 788 CA ASN A 53 6.040 -8.402 -17.896 1.00 63.33 C ATOM 789 C ASN A 53 5.786 -7.489 -19.100 1.00 41.41 C ATOM 790 O ASN A 53 5.732 -7.963 -20.236 1.00 73.12 O ATOM 791 CB ASN A 53 4.839 -9.331 -17.680 1.00 53.43 C ATOM 792 CG ASN A 53 5.190 -10.547 -16.839 1.00 24.23 C ATOM 793 OD1 ASN A 53 6.327 -11.020 -16.852 1.00 70.45 O ATOM 794 ND2 ASN A 53 4.216 -11.086 -16.128 1.00 35.51 N ATOM 0 H ASN A 53 5.556 -7.553 -16.036 1.00 30.31 H new ATOM 0 HA ASN A 53 6.925 -8.995 -18.127 1.00 63.33 H new ATOM 0 HB2 ASN A 53 4.037 -8.776 -17.194 1.00 53.43 H new ATOM 0 HB3 ASN A 53 4.459 -9.659 -18.647 1.00 53.43 H new ATOM 0 HD21 ASN A 53 4.395 -11.919 -15.567 1.00 35.51 H new ATOM 0 HD22 ASN A 53 3.285 -10.669 -16.139 1.00 35.51 H new ATOM 801 N GLY A 54 5.632 -6.191 -18.842 1.00 62.00 N ATOM 802 CA GLY A 54 5.504 -5.220 -19.918 1.00 4.40 C ATOM 803 C GLY A 54 4.073 -4.948 -20.331 1.00 63.44 C ATOM 804 O GLY A 54 3.833 -4.345 -21.374 1.00 65.51 O ATOM 0 H GLY A 54 5.594 -5.793 -17.903 1.00 62.00 H new ATOM 0 HA2 GLY A 54 5.966 -4.283 -19.606 1.00 4.40 H new ATOM 0 HA3 GLY A 54 6.060 -5.577 -20.785 1.00 4.40 H new ATOM 808 N GLY A 55 3.124 -5.385 -19.515 1.00 71.41 N ATOM 809 CA GLY A 55 1.732 -5.100 -19.767 1.00 54.21 C ATOM 810 C GLY A 55 1.280 -3.873 -19.013 1.00 23.34 C ATOM 811 O GLY A 55 1.566 -2.749 -19.437 1.00 75.30 O ATOM 0 H GLY A 55 3.300 -5.937 -18.676 1.00 71.41 H new ATOM 0 HA2 GLY A 55 1.576 -4.951 -20.836 1.00 54.21 H new ATOM 0 HA3 GLY A 55 1.124 -5.955 -19.472 1.00 54.21 H new ATOM 815 N TYR A 56 0.600 -4.118 -17.888 1.00 63.03 N ATOM 816 CA TYR A 56 0.040 -3.092 -16.993 1.00 12.21 C ATOM 817 C TYR A 56 -0.996 -2.220 -17.705 1.00 12.25 C ATOM 818 O TYR A 56 -0.693 -1.154 -18.253 1.00 11.20 O ATOM 819 CB TYR A 56 1.141 -2.252 -16.302 1.00 41.40 C ATOM 820 CG TYR A 56 0.611 -1.193 -15.353 1.00 11.45 C ATOM 821 CD1 TYR A 56 -0.335 -1.509 -14.388 1.00 74.25 C ATOM 822 CD2 TYR A 56 1.037 0.127 -15.443 1.00 64.42 C ATOM 823 CE1 TYR A 56 -0.838 -0.548 -13.548 1.00 23.32 C ATOM 824 CE2 TYR A 56 0.535 1.098 -14.598 1.00 72.42 C ATOM 825 CZ TYR A 56 -0.400 0.754 -13.651 1.00 14.12 C ATOM 826 OH TYR A 56 -0.904 1.706 -12.796 1.00 51.34 O ATOM 0 H TYR A 56 0.417 -5.067 -17.562 1.00 63.03 H new ATOM 0 HA TYR A 56 -0.486 -3.620 -16.197 1.00 12.21 H new ATOM 0 HB2 TYR A 56 1.800 -2.922 -15.750 1.00 41.40 H new ATOM 0 HB3 TYR A 56 1.747 -1.767 -17.068 1.00 41.40 H new ATOM 0 HD1 TYR A 56 -0.681 -2.528 -14.297 1.00 74.25 H new ATOM 0 HD2 TYR A 56 1.773 0.398 -16.186 1.00 64.42 H new ATOM 0 HE1 TYR A 56 -1.577 -0.812 -12.806 1.00 23.32 H new ATOM 0 HE2 TYR A 56 0.875 2.120 -14.681 1.00 72.42 H new ATOM 0 HH TYR A 56 -0.495 2.574 -12.995 1.00 51.34 H new ATOM 836 N LYS A 57 -2.220 -2.728 -17.742 1.00 70.34 N ATOM 837 CA LYS A 57 -3.343 -1.981 -18.273 1.00 32.30 C ATOM 838 C LYS A 57 -4.451 -1.926 -17.244 1.00 3.31 C ATOM 839 O LYS A 57 -4.782 -2.926 -16.597 1.00 1.33 O ATOM 840 CB LYS A 57 -3.881 -2.569 -19.594 1.00 51.03 C ATOM 841 CG LYS A 57 -3.048 -2.241 -20.838 1.00 35.42 C ATOM 842 CD LYS A 57 -1.826 -3.136 -20.971 1.00 70.12 C ATOM 843 CE LYS A 57 -0.821 -2.588 -21.976 1.00 22.51 C ATOM 844 NZ LYS A 57 -1.338 -2.637 -23.366 1.00 54.03 N ATOM 0 H LYS A 57 -2.458 -3.662 -17.407 1.00 70.34 H new ATOM 0 HA LYS A 57 -2.985 -0.976 -18.495 1.00 32.30 H new ATOM 0 HB2 LYS A 57 -3.943 -3.652 -19.493 1.00 51.03 H new ATOM 0 HB3 LYS A 57 -4.896 -2.204 -19.749 1.00 51.03 H new ATOM 0 HG2 LYS A 57 -3.670 -2.346 -21.727 1.00 35.42 H new ATOM 0 HG3 LYS A 57 -2.729 -1.200 -20.794 1.00 35.42 H new ATOM 0 HD2 LYS A 57 -1.345 -3.240 -19.998 1.00 70.12 H new ATOM 0 HD3 LYS A 57 -2.139 -4.133 -21.279 1.00 70.12 H new ATOM 0 HE2 LYS A 57 -0.575 -1.558 -21.717 1.00 22.51 H new ATOM 0 HE3 LYS A 57 0.104 -3.162 -21.913 1.00 22.51 H new ATOM 0 HZ1 LYS A 57 -0.622 -2.255 -24.016 1.00 54.03 H new ATOM 0 HZ2 LYS A 57 -1.549 -3.622 -23.624 1.00 54.03 H new ATOM 0 HZ3 LYS A 57 -2.206 -2.068 -23.434 1.00 54.03 H new ATOM 858 N MET A 58 -5.000 -0.743 -17.079 1.00 44.04 N ATOM 859 CA MET A 58 -6.086 -0.517 -16.148 1.00 64.32 C ATOM 860 C MET A 58 -7.404 -0.704 -16.884 1.00 22.24 C ATOM 861 O MET A 58 -7.490 -0.405 -18.080 1.00 64.33 O ATOM 862 CB MET A 58 -6.004 0.893 -15.530 1.00 72.14 C ATOM 863 CG MET A 58 -4.703 1.183 -14.770 1.00 34.41 C ATOM 864 SD MET A 58 -3.305 1.626 -15.832 1.00 4.12 S ATOM 865 CE MET A 58 -3.894 3.149 -16.566 1.00 55.25 C ATOM 0 H MET A 58 -4.706 0.091 -17.587 1.00 44.04 H new ATOM 0 HA MET A 58 -6.015 -1.234 -15.330 1.00 64.32 H new ATOM 0 HB2 MET A 58 -6.117 1.631 -16.324 1.00 72.14 H new ATOM 0 HB3 MET A 58 -6.845 1.026 -14.849 1.00 72.14 H new ATOM 0 HG2 MET A 58 -4.881 1.995 -14.065 1.00 34.41 H new ATOM 0 HG3 MET A 58 -4.435 0.304 -14.183 1.00 34.41 H new ATOM 0 HE1 MET A 58 -3.043 3.759 -16.870 1.00 55.25 H new ATOM 0 HE2 MET A 58 -4.506 2.920 -17.438 1.00 55.25 H new ATOM 0 HE3 MET A 58 -4.492 3.697 -15.837 1.00 55.25 H new ATOM 875 N VAL A 59 -8.426 -1.204 -16.180 1.00 32.03 N ATOM 876 CA VAL A 59 -9.731 -1.468 -16.804 1.00 43.53 C ATOM 877 C VAL A 59 -10.511 -0.154 -16.986 1.00 2.34 C ATOM 878 O VAL A 59 -11.436 -0.071 -17.794 1.00 23.43 O ATOM 879 CB VAL A 59 -10.588 -2.528 -16.024 1.00 20.22 C ATOM 880 CG1 VAL A 59 -9.761 -3.759 -15.658 1.00 62.52 C ATOM 881 CG2 VAL A 59 -11.258 -1.959 -14.777 1.00 44.31 C ATOM 0 H VAL A 59 -8.378 -1.433 -15.187 1.00 32.03 H new ATOM 0 HA VAL A 59 -9.530 -1.905 -17.782 1.00 43.53 H new ATOM 0 HB VAL A 59 -11.381 -2.824 -16.710 1.00 20.22 H new ATOM 0 HG11 VAL A 59 -10.387 -4.471 -15.119 1.00 62.52 H new ATOM 0 HG12 VAL A 59 -9.381 -4.225 -16.567 1.00 62.52 H new ATOM 0 HG13 VAL A 59 -8.924 -3.461 -15.026 1.00 62.52 H new ATOM 0 HG21 VAL A 59 -11.834 -2.742 -14.284 1.00 44.31 H new ATOM 0 HG22 VAL A 59 -10.496 -1.585 -14.093 1.00 44.31 H new ATOM 0 HG23 VAL A 59 -11.923 -1.143 -15.061 1.00 44.31 H new ATOM 891 N GLU A 60 -10.111 0.861 -16.226 1.00 42.12 N ATOM 892 CA GLU A 60 -10.645 2.197 -16.353 1.00 44.41 C ATOM 893 C GLU A 60 -9.477 3.175 -16.311 1.00 22.44 C ATOM 894 O GLU A 60 -8.605 3.069 -15.448 1.00 30.14 O ATOM 895 CB GLU A 60 -11.636 2.480 -15.219 1.00 34.12 C ATOM 896 CG GLU A 60 -12.941 3.129 -15.655 1.00 34.15 C ATOM 897 CD GLU A 60 -12.767 4.535 -16.190 1.00 4.13 C ATOM 898 OE1 GLU A 60 -12.822 5.493 -15.398 1.00 74.15 O ATOM 899 OE2 GLU A 60 -12.571 4.679 -17.412 1.00 64.10 O ATOM 0 H GLU A 60 -9.400 0.770 -15.500 1.00 42.12 H new ATOM 0 HA GLU A 60 -11.184 2.305 -17.294 1.00 44.41 H new ATOM 0 HB2 GLU A 60 -11.865 1.542 -14.714 1.00 34.12 H new ATOM 0 HB3 GLU A 60 -11.153 3.127 -14.487 1.00 34.12 H new ATOM 0 HG2 GLU A 60 -13.406 2.511 -16.423 1.00 34.15 H new ATOM 0 HG3 GLU A 60 -13.626 3.153 -14.808 1.00 34.15 H new ATOM 978 N GLU A 67 -3.381 2.914 -6.259 1.00 4.43 N ATOM 979 CA GLU A 67 -2.427 2.432 -7.302 1.00 2.44 C ATOM 980 C GLU A 67 -0.952 2.732 -6.999 1.00 12.45 C ATOM 981 O GLU A 67 -0.337 3.610 -7.609 1.00 22.21 O ATOM 982 CB GLU A 67 -2.818 2.957 -8.686 1.00 1.54 C ATOM 983 CG GLU A 67 -4.150 2.409 -9.177 1.00 35.11 C ATOM 984 CD GLU A 67 -4.421 2.748 -10.625 1.00 12.34 C ATOM 985 OE1 GLU A 67 -4.955 3.844 -10.901 1.00 21.02 O ATOM 986 OE2 GLU A 67 -4.117 1.902 -11.486 1.00 24.31 O ATOM 0 HA GLU A 67 -2.511 1.345 -7.292 1.00 2.44 H new ATOM 0 HB2 GLU A 67 -2.869 4.045 -8.654 1.00 1.54 H new ATOM 0 HB3 GLU A 67 -2.038 2.695 -9.401 1.00 1.54 H new ATOM 0 HG2 GLU A 67 -4.161 1.326 -9.053 1.00 35.11 H new ATOM 0 HG3 GLU A 67 -4.953 2.809 -8.558 1.00 35.11 H new ATOM 993 N TRP A 68 -0.415 2.004 -6.032 1.00 21.45 N ATOM 994 CA TRP A 68 0.889 2.299 -5.461 1.00 64.21 C ATOM 995 C TRP A 68 2.041 1.853 -6.366 1.00 40.34 C ATOM 996 O TRP A 68 2.129 0.680 -6.745 1.00 71.15 O ATOM 997 CB TRP A 68 1.006 1.628 -4.092 1.00 33.31 C ATOM 998 CG TRP A 68 -0.119 1.941 -3.162 1.00 13.41 C ATOM 999 CD1 TRP A 68 -1.045 1.065 -2.673 1.00 70.21 C ATOM 1000 CD2 TRP A 68 -0.455 3.223 -2.631 1.00 65.15 C ATOM 1001 NE1 TRP A 68 -1.936 1.725 -1.869 1.00 65.32 N ATOM 1002 CE2 TRP A 68 -1.590 3.053 -1.829 1.00 30.31 C ATOM 1003 CE3 TRP A 68 0.098 4.497 -2.754 1.00 0.15 C ATOM 1004 CZ2 TRP A 68 -2.187 4.113 -1.162 1.00 71.43 C ATOM 1005 CZ3 TRP A 68 -0.494 5.541 -2.088 1.00 44.35 C ATOM 1006 CH2 TRP A 68 -1.625 5.347 -1.299 1.00 1.11 C ATOM 0 H TRP A 68 -0.873 1.190 -5.621 1.00 21.45 H new ATOM 0 HA TRP A 68 0.968 3.381 -5.358 1.00 64.21 H new ATOM 0 HB2 TRP A 68 1.058 0.548 -4.232 1.00 33.31 H new ATOM 0 HB3 TRP A 68 1.943 1.935 -3.628 1.00 33.31 H new ATOM 0 HD1 TRP A 68 -1.071 0.007 -2.888 1.00 70.21 H new ATOM 0 HE1 TRP A 68 -2.725 1.301 -1.381 1.00 65.32 H new ATOM 0 HE3 TRP A 68 0.976 4.659 -3.362 1.00 0.15 H new ATOM 0 HZ2 TRP A 68 -3.068 3.965 -0.555 1.00 71.43 H new ATOM 0 HZ3 TRP A 68 -0.075 6.532 -2.178 1.00 44.35 H new ATOM 0 HH2 TRP A 68 -2.065 6.190 -0.786 1.00 1.11 H new ATOM 1017 N HIS A 69 2.899 2.814 -6.728 1.00 23.14 N ATOM 1018 CA HIS A 69 4.086 2.547 -7.535 1.00 43.14 C ATOM 1019 C HIS A 69 5.198 3.564 -7.206 1.00 14.02 C ATOM 1020 O HIS A 69 6.080 3.277 -6.402 1.00 21.13 O ATOM 1021 CB HIS A 69 3.726 2.548 -9.046 1.00 12.01 C ATOM 1022 CG HIS A 69 4.846 2.153 -9.979 1.00 11.33 C ATOM 1023 ND1 HIS A 69 5.158 0.846 -10.276 1.00 32.53 N ATOM 1024 CD2 HIS A 69 5.722 2.915 -10.685 1.00 44.22 C ATOM 1025 CE1 HIS A 69 6.177 0.818 -11.118 1.00 14.43 C ATOM 1026 NE2 HIS A 69 6.534 2.060 -11.380 1.00 62.42 N ATOM 0 H HIS A 69 2.787 3.794 -6.469 1.00 23.14 H new ATOM 0 HA HIS A 69 4.467 1.555 -7.292 1.00 43.14 H new ATOM 0 HB2 HIS A 69 2.888 1.868 -9.203 1.00 12.01 H new ATOM 0 HB3 HIS A 69 3.383 3.546 -9.320 1.00 12.01 H new ATOM 0 HD2 HIS A 69 5.769 3.994 -10.696 1.00 44.22 H new ATOM 0 HE1 HIS A 69 6.638 -0.071 -11.522 1.00 14.43 H new ATOM 0 HE2 HIS A 69 7.294 2.339 -12.001 1.00 62.42 H new ATOM 1035 N GLU A 70 5.125 4.760 -7.799 1.00 4.55 N ATOM 1036 CA GLU A 70 6.219 5.735 -7.725 1.00 35.34 C ATOM 1037 C GLU A 70 5.986 6.740 -6.598 1.00 61.52 C ATOM 1038 O GLU A 70 6.921 7.168 -5.925 1.00 71.31 O ATOM 1039 CB GLU A 70 6.343 6.470 -9.064 1.00 20.41 C ATOM 1040 CG GLU A 70 7.654 7.213 -9.257 1.00 30.52 C ATOM 1041 CD GLU A 70 8.834 6.272 -9.353 1.00 4.41 C ATOM 1042 OE1 GLU A 70 9.127 5.799 -10.465 1.00 53.23 O ATOM 1043 OE2 GLU A 70 9.463 5.989 -8.316 1.00 42.45 O ATOM 0 H GLU A 70 4.318 5.077 -8.337 1.00 4.55 H new ATOM 0 HA GLU A 70 7.145 5.199 -7.514 1.00 35.34 H new ATOM 0 HB2 GLU A 70 6.227 5.748 -9.872 1.00 20.41 H new ATOM 0 HB3 GLU A 70 5.521 7.181 -9.151 1.00 20.41 H new ATOM 0 HG2 GLU A 70 7.598 7.817 -10.163 1.00 30.52 H new ATOM 0 HG3 GLU A 70 7.806 7.900 -8.425 1.00 30.52 H new ATOM 1050 N GLN A 71 4.720 7.088 -6.385 1.00 3.31 N ATOM 1051 CA GLN A 71 4.327 8.028 -5.334 1.00 3.14 C ATOM 1052 C GLN A 71 4.371 7.338 -3.964 1.00 31.11 C ATOM 1053 O GLN A 71 4.522 7.990 -2.927 1.00 0.23 O ATOM 1054 CB GLN A 71 2.921 8.560 -5.624 1.00 20.51 C ATOM 1055 CG GLN A 71 2.762 9.118 -7.035 1.00 51.41 C ATOM 1056 CD GLN A 71 1.313 9.295 -7.449 1.00 21.32 C ATOM 1057 OE1 GLN A 71 0.693 8.376 -7.972 1.00 51.40 O ATOM 1058 NE2 GLN A 71 0.775 10.483 -7.252 1.00 3.54 N ATOM 0 H GLN A 71 3.938 6.729 -6.933 1.00 3.31 H new ATOM 0 HA GLN A 71 5.025 8.865 -5.318 1.00 3.14 H new ATOM 0 HB2 GLN A 71 2.199 7.757 -5.476 1.00 20.51 H new ATOM 0 HB3 GLN A 71 2.681 9.342 -4.903 1.00 20.51 H new ATOM 0 HG2 GLN A 71 3.271 10.080 -7.098 1.00 51.41 H new ATOM 0 HG3 GLN A 71 3.256 8.450 -7.741 1.00 51.41 H new ATOM 0 HE21 GLN A 71 1.322 11.224 -6.814 1.00 3.54 H new ATOM 0 HE22 GLN A 71 -0.188 10.661 -7.538 1.00 3.54 H new ATOM 1067 N ALA A 72 4.260 6.002 -3.998 1.00 42.43 N ATOM 1068 CA ALA A 72 4.367 5.147 -2.818 1.00 60.24 C ATOM 1069 C ALA A 72 5.808 5.011 -2.324 1.00 52.40 C ATOM 1070 O ALA A 72 6.016 4.692 -1.165 1.00 4.45 O ATOM 1071 CB ALA A 72 3.804 3.772 -3.112 1.00 61.45 C ATOM 0 H ALA A 72 4.091 5.483 -4.860 1.00 42.43 H new ATOM 0 HA ALA A 72 3.788 5.626 -2.028 1.00 60.24 H new ATOM 0 HB1 ALA A 72 3.890 3.146 -2.224 1.00 61.45 H new ATOM 0 HB2 ALA A 72 2.754 3.861 -3.393 1.00 61.45 H new ATOM 0 HB3 ALA A 72 4.361 3.318 -3.931 1.00 61.45 H new ATOM 1077 N GLU A 73 6.782 5.221 -3.225 1.00 51.45 N ATOM 1078 CA GLU A 73 8.218 5.069 -2.924 1.00 72.10 C ATOM 1079 C GLU A 73 8.703 6.072 -1.846 1.00 2.24 C ATOM 1080 O GLU A 73 9.555 5.744 -1.014 1.00 55.33 O ATOM 1081 CB GLU A 73 9.005 5.213 -4.247 1.00 35.24 C ATOM 1082 CG GLU A 73 10.508 4.949 -4.161 1.00 14.22 C ATOM 1083 CD GLU A 73 11.337 6.198 -3.904 1.00 34.22 C ATOM 1084 OE1 GLU A 73 10.801 7.319 -4.009 1.00 23.44 O ATOM 1085 OE2 GLU A 73 12.538 6.063 -3.619 1.00 71.23 O ATOM 0 H GLU A 73 6.596 5.502 -4.188 1.00 51.45 H new ATOM 0 HA GLU A 73 8.396 4.082 -2.497 1.00 72.10 H new ATOM 0 HB2 GLU A 73 8.577 4.528 -4.979 1.00 35.24 H new ATOM 0 HB3 GLU A 73 8.854 6.223 -4.629 1.00 35.24 H new ATOM 0 HG2 GLU A 73 10.696 4.229 -3.364 1.00 14.22 H new ATOM 0 HG3 GLU A 73 10.840 4.489 -5.091 1.00 14.22 H new ATOM 1092 N LYS A 74 8.151 7.286 -1.865 1.00 13.21 N ATOM 1093 CA LYS A 74 8.460 8.307 -0.852 1.00 2.30 C ATOM 1094 C LYS A 74 7.856 7.932 0.503 1.00 44.33 C ATOM 1095 O LYS A 74 8.451 8.162 1.557 1.00 33.04 O ATOM 1096 CB LYS A 74 7.906 9.667 -1.304 1.00 51.54 C ATOM 1097 CG LYS A 74 8.555 10.224 -2.565 1.00 33.41 C ATOM 1098 CD LYS A 74 9.975 10.698 -2.304 1.00 43.30 C ATOM 1099 CE LYS A 74 10.620 11.264 -3.559 1.00 11.10 C ATOM 1100 NZ LYS A 74 11.031 10.195 -4.501 1.00 34.25 N ATOM 0 H LYS A 74 7.484 7.591 -2.573 1.00 13.21 H new ATOM 0 HA LYS A 74 9.543 8.368 -0.743 1.00 2.30 H new ATOM 0 HB2 LYS A 74 6.834 9.570 -1.474 1.00 51.54 H new ATOM 0 HB3 LYS A 74 8.037 10.386 -0.495 1.00 51.54 H new ATOM 0 HG2 LYS A 74 8.564 9.457 -3.339 1.00 33.41 H new ATOM 0 HG3 LYS A 74 7.959 11.053 -2.945 1.00 33.41 H new ATOM 0 HD2 LYS A 74 9.967 11.460 -1.524 1.00 43.30 H new ATOM 0 HD3 LYS A 74 10.573 9.867 -1.931 1.00 43.30 H new ATOM 0 HE2 LYS A 74 9.920 11.936 -4.056 1.00 11.10 H new ATOM 0 HE3 LYS A 74 11.491 11.859 -3.283 1.00 11.10 H new ATOM 0 HZ1 LYS A 74 12.049 10.278 -4.697 1.00 34.25 H new ATOM 0 HZ2 LYS A 74 10.835 9.265 -4.078 1.00 34.25 H new ATOM 0 HZ3 LYS A 74 10.498 10.291 -5.389 1.00 34.25 H new ATOM 1114 N VAL A 75 6.671 7.336 0.437 1.00 70.12 N ATOM 1115 CA VAL A 75 5.893 6.945 1.607 1.00 33.33 C ATOM 1116 C VAL A 75 6.465 5.689 2.302 1.00 43.35 C ATOM 1117 O VAL A 75 6.393 5.570 3.528 1.00 54.52 O ATOM 1118 CB VAL A 75 4.414 6.708 1.210 1.00 13.45 C ATOM 1119 CG1 VAL A 75 3.558 6.458 2.429 1.00 44.43 C ATOM 1120 CG2 VAL A 75 3.857 7.884 0.422 1.00 51.42 C ATOM 0 H VAL A 75 6.216 7.107 -0.447 1.00 70.12 H new ATOM 0 HA VAL A 75 5.953 7.765 2.322 1.00 33.33 H new ATOM 0 HB VAL A 75 4.389 5.822 0.575 1.00 13.45 H new ATOM 0 HG11 VAL A 75 2.525 6.295 2.121 1.00 44.43 H new ATOM 0 HG12 VAL A 75 3.923 5.576 2.955 1.00 44.43 H new ATOM 0 HG13 VAL A 75 3.607 7.322 3.091 1.00 44.43 H new ATOM 0 HG21 VAL A 75 2.818 7.686 0.159 1.00 51.42 H new ATOM 0 HG22 VAL A 75 3.912 8.788 1.029 1.00 51.42 H new ATOM 0 HG23 VAL A 75 4.442 8.022 -0.488 1.00 51.42 H new ATOM 1130 N GLU A 76 7.021 4.757 1.513 1.00 2.24 N ATOM 1131 CA GLU A 76 7.494 3.468 2.031 1.00 51.32 C ATOM 1132 C GLU A 76 8.692 3.639 2.977 1.00 10.24 C ATOM 1133 O GLU A 76 8.820 2.898 3.947 1.00 43.10 O ATOM 1134 CB GLU A 76 7.811 2.485 0.881 1.00 44.24 C ATOM 1135 CG GLU A 76 9.116 2.731 0.137 1.00 10.32 C ATOM 1136 CD GLU A 76 9.345 1.744 -0.976 1.00 33.44 C ATOM 1137 OE1 GLU A 76 9.712 0.588 -0.694 1.00 15.43 O ATOM 1138 OE2 GLU A 76 9.163 2.118 -2.142 1.00 63.45 O ATOM 0 H GLU A 76 7.154 4.875 0.509 1.00 2.24 H new ATOM 0 HA GLU A 76 6.684 3.036 2.619 1.00 51.32 H new ATOM 0 HB2 GLU A 76 7.832 1.474 1.288 1.00 44.24 H new ATOM 0 HB3 GLU A 76 6.993 2.521 0.162 1.00 44.24 H new ATOM 0 HG2 GLU A 76 9.111 3.741 -0.274 1.00 10.32 H new ATOM 0 HG3 GLU A 76 9.946 2.678 0.841 1.00 10.32 H new ATOM 1145 N ALA A 77 9.538 4.642 2.688 1.00 5.22 N ATOM 1146 CA ALA A 77 10.655 5.021 3.550 1.00 42.43 C ATOM 1147 C ALA A 77 10.173 5.535 4.910 1.00 40.42 C ATOM 1148 O ALA A 77 10.769 5.222 5.941 1.00 4.20 O ATOM 1149 CB ALA A 77 11.492 6.074 2.852 1.00 21.42 C ATOM 0 H ALA A 77 9.460 5.211 1.845 1.00 5.22 H new ATOM 0 HA ALA A 77 11.261 4.134 3.737 1.00 42.43 H new ATOM 0 HB1 ALA A 77 12.326 6.359 3.493 1.00 21.42 H new ATOM 0 HB2 ALA A 77 11.875 5.671 1.914 1.00 21.42 H new ATOM 0 HB3 ALA A 77 10.877 6.950 2.646 1.00 21.42 H new ATOM 1155 N TYR A 78 9.069 6.290 4.881 1.00 62.11 N ATOM 1156 CA TYR A 78 8.422 6.822 6.079 1.00 32.33 C ATOM 1157 C TYR A 78 7.811 5.703 6.944 1.00 74.31 C ATOM 1158 O TYR A 78 7.844 5.782 8.162 1.00 3.33 O ATOM 1159 CB TYR A 78 7.346 7.835 5.656 1.00 74.43 C ATOM 1160 CG TYR A 78 6.586 8.489 6.797 1.00 53.23 C ATOM 1161 CD1 TYR A 78 7.077 9.612 7.441 1.00 44.20 C ATOM 1162 CD2 TYR A 78 5.369 7.979 7.215 1.00 11.44 C ATOM 1163 CE1 TYR A 78 6.373 10.205 8.472 1.00 24.43 C ATOM 1164 CE2 TYR A 78 4.666 8.562 8.240 1.00 22.00 C ATOM 1165 CZ TYR A 78 5.165 9.673 8.867 1.00 24.12 C ATOM 1166 OH TYR A 78 4.454 10.245 9.896 1.00 64.51 O ATOM 0 H TYR A 78 8.597 6.550 4.015 1.00 62.11 H new ATOM 0 HA TYR A 78 9.174 7.318 6.692 1.00 32.33 H new ATOM 0 HB2 TYR A 78 7.820 8.616 5.062 1.00 74.43 H new ATOM 0 HB3 TYR A 78 6.630 7.330 5.007 1.00 74.43 H new ATOM 0 HD1 TYR A 78 8.024 10.031 7.133 1.00 44.20 H new ATOM 0 HD2 TYR A 78 4.965 7.105 6.725 1.00 11.44 H new ATOM 0 HE1 TYR A 78 6.768 11.081 8.965 1.00 24.43 H new ATOM 0 HE2 TYR A 78 3.720 8.145 8.552 1.00 22.00 H new ATOM 0 HH TYR A 78 3.814 9.594 10.253 1.00 64.51 H new ATOM 1176 N LEU A 79 7.264 4.663 6.309 1.00 45.14 N ATOM 1177 CA LEU A 79 6.632 3.558 7.036 1.00 60.44 C ATOM 1178 C LEU A 79 7.679 2.738 7.794 1.00 13.25 C ATOM 1179 O LEU A 79 7.470 2.401 8.964 1.00 41.55 O ATOM 1180 CB LEU A 79 5.824 2.675 6.052 1.00 73.03 C ATOM 1181 CG LEU A 79 4.844 1.622 6.645 1.00 4.42 C ATOM 1182 CD1 LEU A 79 5.541 0.311 6.996 1.00 62.35 C ATOM 1183 CD2 LEU A 79 4.107 2.174 7.863 1.00 22.20 C ATOM 0 H LEU A 79 7.246 4.563 5.294 1.00 45.14 H new ATOM 0 HA LEU A 79 5.942 3.967 7.775 1.00 60.44 H new ATOM 0 HB2 LEU A 79 5.249 3.338 5.405 1.00 73.03 H new ATOM 0 HB3 LEU A 79 6.535 2.147 5.417 1.00 73.03 H new ATOM 0 HG LEU A 79 4.115 1.406 5.864 1.00 4.42 H new ATOM 0 HD11 LEU A 79 4.813 -0.390 7.406 1.00 62.35 H new ATOM 0 HD12 LEU A 79 5.989 -0.115 6.098 1.00 62.35 H new ATOM 0 HD13 LEU A 79 6.320 0.499 7.735 1.00 62.35 H new ATOM 0 HD21 LEU A 79 3.430 1.414 8.254 1.00 22.20 H new ATOM 0 HD22 LEU A 79 4.829 2.447 8.632 1.00 22.20 H new ATOM 0 HD23 LEU A 79 3.535 3.055 7.573 1.00 22.20 H new ATOM 1195 N VAL A 80 8.794 2.430 7.129 1.00 4.55 N ATOM 1196 CA VAL A 80 9.857 1.617 7.726 1.00 31.15 C ATOM 1197 C VAL A 80 10.566 2.372 8.870 1.00 41.21 C ATOM 1198 O VAL A 80 10.945 1.760 9.864 1.00 24.24 O ATOM 1199 CB VAL A 80 10.884 1.135 6.653 1.00 60.11 C ATOM 1200 CG1 VAL A 80 11.943 0.218 7.251 1.00 73.03 C ATOM 1201 CG2 VAL A 80 10.178 0.410 5.516 1.00 0.50 C ATOM 0 H VAL A 80 8.985 2.732 6.174 1.00 4.55 H new ATOM 0 HA VAL A 80 9.385 0.731 8.151 1.00 31.15 H new ATOM 0 HB VAL A 80 11.378 2.027 6.267 1.00 60.11 H new ATOM 0 HG11 VAL A 80 12.637 -0.094 6.470 1.00 73.03 H new ATOM 0 HG12 VAL A 80 12.489 0.751 8.030 1.00 73.03 H new ATOM 0 HG13 VAL A 80 11.462 -0.661 7.682 1.00 73.03 H new ATOM 0 HG21 VAL A 80 10.913 0.083 4.781 1.00 0.50 H new ATOM 0 HG22 VAL A 80 9.649 -0.458 5.911 1.00 0.50 H new ATOM 0 HG23 VAL A 80 9.465 1.084 5.042 1.00 0.50 H new ATOM 1211 N GLU A 81 10.691 3.698 8.764 1.00 51.52 N ATOM 1212 CA GLU A 81 11.335 4.479 9.827 1.00 30.23 C ATOM 1213 C GLU A 81 10.412 4.646 11.049 1.00 31.24 C ATOM 1214 O GLU A 81 10.889 4.793 12.169 1.00 63.43 O ATOM 1215 CB GLU A 81 11.799 5.852 9.315 1.00 45.40 C ATOM 1216 CG GLU A 81 10.676 6.843 9.054 1.00 53.21 C ATOM 1217 CD GLU A 81 11.165 8.220 8.740 1.00 30.42 C ATOM 1218 OE1 GLU A 81 11.789 8.843 9.616 1.00 55.23 O ATOM 1219 OE2 GLU A 81 10.912 8.698 7.625 1.00 40.45 O ATOM 0 H GLU A 81 10.362 4.246 7.969 1.00 51.52 H new ATOM 0 HA GLU A 81 12.215 3.918 10.143 1.00 30.23 H new ATOM 0 HB2 GLU A 81 12.485 6.284 10.044 1.00 45.40 H new ATOM 0 HB3 GLU A 81 12.362 5.710 8.393 1.00 45.40 H new ATOM 0 HG2 GLU A 81 10.068 6.483 8.224 1.00 53.21 H new ATOM 0 HG3 GLU A 81 10.028 6.886 9.929 1.00 53.21 H new ATOM 1226 N LYS A 82 9.092 4.616 10.823 1.00 4.13 N ATOM 1227 CA LYS A 82 8.124 4.772 11.905 1.00 54.34 C ATOM 1228 C LYS A 82 7.914 3.476 12.659 1.00 45.43 C ATOM 1229 O LYS A 82 7.628 3.508 13.860 1.00 1.40 O ATOM 1230 CB LYS A 82 6.773 5.270 11.362 1.00 13.41 C ATOM 1231 CG LYS A 82 6.774 6.742 10.986 1.00 13.42 C ATOM 1232 CD LYS A 82 7.236 7.611 12.137 1.00 55.35 C ATOM 1233 CE LYS A 82 7.528 9.024 11.680 1.00 4.45 C ATOM 1234 NZ LYS A 82 8.068 9.860 12.778 1.00 5.01 N ATOM 0 H LYS A 82 8.675 4.485 9.901 1.00 4.13 H new ATOM 0 HA LYS A 82 8.533 5.511 12.594 1.00 54.34 H new ATOM 0 HB2 LYS A 82 6.503 4.680 10.486 1.00 13.41 H new ATOM 0 HB3 LYS A 82 6.003 5.096 12.113 1.00 13.41 H new ATOM 0 HG2 LYS A 82 7.426 6.898 10.127 1.00 13.42 H new ATOM 0 HG3 LYS A 82 5.771 7.041 10.683 1.00 13.42 H new ATOM 0 HD2 LYS A 82 6.470 7.629 12.912 1.00 55.35 H new ATOM 0 HD3 LYS A 82 8.131 7.179 12.584 1.00 55.35 H new ATOM 0 HE2 LYS A 82 8.243 8.999 10.858 1.00 4.45 H new ATOM 0 HE3 LYS A 82 6.615 9.477 11.295 1.00 4.45 H new ATOM 0 HZ1 LYS A 82 8.255 10.820 12.424 1.00 5.01 H new ATOM 0 HZ2 LYS A 82 7.376 9.905 13.553 1.00 5.01 H new ATOM 0 HZ3 LYS A 82 8.953 9.442 13.129 1.00 5.01 H new ATOM 1248 N GLN A 83 8.041 2.346 11.918 1.00 3.42 N ATOM 1249 CA GLN A 83 7.772 0.977 12.409 1.00 2.20 C ATOM 1250 C GLN A 83 6.295 0.781 12.738 1.00 30.33 C ATOM 1251 O GLN A 83 5.919 -0.237 13.303 1.00 33.24 O ATOM 1252 CB GLN A 83 8.626 0.621 13.642 1.00 11.32 C ATOM 1253 CG GLN A 83 10.104 0.459 13.350 1.00 41.23 C ATOM 1254 CD GLN A 83 10.397 -0.793 12.560 1.00 72.31 C ATOM 1255 OE1 GLN A 83 10.628 -1.853 13.124 1.00 52.42 O ATOM 1256 NE2 GLN A 83 10.371 -0.680 11.253 1.00 73.31 N ATOM 0 H GLN A 83 8.340 2.365 10.943 1.00 3.42 H new ATOM 0 HA GLN A 83 8.048 0.304 11.597 1.00 2.20 H new ATOM 0 HB2 GLN A 83 8.499 1.399 14.394 1.00 11.32 H new ATOM 0 HB3 GLN A 83 8.249 -0.306 14.075 1.00 11.32 H new ATOM 0 HG2 GLN A 83 10.460 1.327 12.796 1.00 41.23 H new ATOM 0 HG3 GLN A 83 10.657 0.431 14.289 1.00 41.23 H new ATOM 0 HE21 GLN A 83 10.174 0.224 10.823 1.00 73.31 H new ATOM 0 HE22 GLN A 83 10.548 -1.496 10.667 1.00 73.31 H new ATOM 1265 N ASP A 84 5.459 1.726 12.320 1.00 13.52 N ATOM 1266 CA ASP A 84 4.098 1.795 12.791 1.00 13.13 C ATOM 1267 C ASP A 84 3.155 2.151 11.648 1.00 41.43 C ATOM 1268 O ASP A 84 3.253 3.239 11.069 1.00 32.32 O ATOM 1269 CB ASP A 84 3.992 2.823 13.923 1.00 24.20 C ATOM 1270 CG ASP A 84 2.711 2.686 14.698 1.00 12.24 C ATOM 1271 OD1 ASP A 84 2.567 1.689 15.426 1.00 61.51 O ATOM 1272 OD2 ASP A 84 1.843 3.563 14.572 1.00 24.53 O ATOM 0 H ASP A 84 5.711 2.454 11.652 1.00 13.52 H new ATOM 0 HA ASP A 84 3.806 0.818 13.177 1.00 13.13 H new ATOM 0 HB2 ASP A 84 4.838 2.704 14.600 1.00 24.20 H new ATOM 0 HB3 ASP A 84 4.056 3.828 13.506 1.00 24.20 H new ATOM 1277 N PRO A 85 2.235 1.220 11.305 1.00 44.05 N ATOM 1278 CA PRO A 85 1.269 1.374 10.190 1.00 3.14 C ATOM 1279 C PRO A 85 0.139 2.401 10.403 1.00 2.23 C ATOM 1280 O PRO A 85 -0.747 2.507 9.558 1.00 15.22 O ATOM 1281 CB PRO A 85 0.655 -0.020 10.090 1.00 21.42 C ATOM 1282 CG PRO A 85 0.772 -0.582 11.453 1.00 44.04 C ATOM 1283 CD PRO A 85 2.101 -0.113 11.941 1.00 11.11 C ATOM 0 HA PRO A 85 1.787 1.750 9.308 1.00 3.14 H new ATOM 0 HB2 PRO A 85 -0.386 0.028 9.770 1.00 21.42 H new ATOM 0 HB3 PRO A 85 1.185 -0.634 9.362 1.00 21.42 H new ATOM 0 HG2 PRO A 85 -0.034 -0.230 12.097 1.00 44.04 H new ATOM 0 HG3 PRO A 85 0.716 -1.670 11.439 1.00 44.04 H new ATOM 0 HD2 PRO A 85 2.132 -0.047 13.029 1.00 11.11 H new ATOM 0 HD3 PRO A 85 2.903 -0.787 11.640 1.00 11.11 H new ATOM 1291 N THR A 86 0.148 3.146 11.508 1.00 71.21 N ATOM 1292 CA THR A 86 -0.902 4.128 11.757 1.00 73.52 C ATOM 1293 C THR A 86 -0.324 5.498 12.187 1.00 3.11 C ATOM 1294 O THR A 86 -1.076 6.448 12.436 1.00 11.43 O ATOM 1295 CB THR A 86 -1.938 3.583 12.790 1.00 74.54 C ATOM 1296 OG1 THR A 86 -3.112 4.399 12.813 1.00 43.13 O ATOM 1297 CG2 THR A 86 -1.376 3.488 14.200 1.00 20.11 C ATOM 0 H THR A 86 0.861 3.089 12.235 1.00 71.21 H new ATOM 0 HA THR A 86 -1.427 4.296 10.817 1.00 73.52 H new ATOM 0 HB THR A 86 -2.187 2.575 12.459 1.00 74.54 H new ATOM 0 HG1 THR A 86 -2.864 5.334 12.653 1.00 43.13 H new ATOM 0 HG21 THR A 86 -2.143 3.103 14.872 1.00 20.11 H new ATOM 0 HG22 THR A 86 -0.518 2.816 14.205 1.00 20.11 H new ATOM 0 HG23 THR A 86 -1.064 4.477 14.535 1.00 20.11 H new ATOM 1305 N ASP A 87 1.006 5.616 12.231 1.00 22.13 N ATOM 1306 CA ASP A 87 1.641 6.877 12.620 1.00 41.04 C ATOM 1307 C ASP A 87 1.754 7.806 11.410 1.00 0.05 C ATOM 1308 O ASP A 87 2.682 7.684 10.605 1.00 72.10 O ATOM 1309 CB ASP A 87 3.024 6.629 13.241 1.00 23.35 C ATOM 1310 CG ASP A 87 3.567 7.856 13.951 1.00 54.13 C ATOM 1311 OD1 ASP A 87 4.178 8.721 13.291 1.00 44.12 O ATOM 1312 OD2 ASP A 87 3.366 7.967 15.176 1.00 3.13 O ATOM 0 H ASP A 87 1.657 4.864 12.005 1.00 22.13 H new ATOM 0 HA ASP A 87 1.017 7.357 13.374 1.00 41.04 H new ATOM 0 HB2 ASP A 87 2.959 5.802 13.948 1.00 23.35 H new ATOM 0 HB3 ASP A 87 3.721 6.326 12.460 1.00 23.35 H new ATOM 1317 N ILE A 88 0.778 8.710 11.282 1.00 64.43 N ATOM 1318 CA ILE A 88 0.677 9.610 10.134 1.00 23.45 C ATOM 1319 C ILE A 88 -0.350 10.726 10.426 1.00 44.31 C ATOM 1320 O ILE A 88 -1.265 10.544 11.237 1.00 53.42 O ATOM 1321 CB ILE A 88 0.287 8.803 8.846 1.00 2.23 C ATOM 1322 CG1 ILE A 88 0.311 9.672 7.577 1.00 33.13 C ATOM 1323 CG2 ILE A 88 -1.080 8.139 9.009 1.00 4.23 C ATOM 1324 CD1 ILE A 88 1.664 10.249 7.222 1.00 2.30 C ATOM 0 H ILE A 88 0.037 8.837 11.972 1.00 64.43 H new ATOM 0 HA ILE A 88 1.646 10.077 9.958 1.00 23.45 H new ATOM 0 HB ILE A 88 1.044 8.028 8.723 1.00 2.23 H new ATOM 0 HG12 ILE A 88 -0.043 9.073 6.738 1.00 33.13 H new ATOM 0 HG13 ILE A 88 -0.395 10.493 7.703 1.00 33.13 H new ATOM 0 HG21 ILE A 88 -1.326 7.586 8.102 1.00 4.23 H new ATOM 0 HG22 ILE A 88 -1.053 7.453 9.856 1.00 4.23 H new ATOM 0 HG23 ILE A 88 -1.837 8.903 9.185 1.00 4.23 H new ATOM 0 HD11 ILE A 88 1.578 10.845 6.314 1.00 2.30 H new ATOM 0 HD12 ILE A 88 2.016 10.880 8.038 1.00 2.30 H new ATOM 0 HD13 ILE A 88 2.374 9.438 7.058 1.00 2.30 H new ATOM 1336 N LYS A 89 -0.163 11.889 9.800 1.00 32.14 N ATOM 1337 CA LYS A 89 -1.100 12.996 9.920 1.00 1.34 C ATOM 1338 C LYS A 89 -1.377 13.612 8.544 1.00 41.43 C ATOM 1339 O LYS A 89 -0.442 13.892 7.787 1.00 50.45 O ATOM 1340 CB LYS A 89 -0.531 14.044 10.883 1.00 13.00 C ATOM 1341 CG LYS A 89 -1.522 15.120 11.276 1.00 41.55 C ATOM 1342 CD LYS A 89 -0.989 15.979 12.405 1.00 10.42 C ATOM 1343 CE LYS A 89 -2.019 16.996 12.862 1.00 5.10 C ATOM 1344 NZ LYS A 89 -3.262 16.348 13.365 1.00 42.43 N ATOM 0 H LYS A 89 0.638 12.085 9.200 1.00 32.14 H new ATOM 0 HA LYS A 89 -2.045 12.628 10.319 1.00 1.34 H new ATOM 0 HB2 LYS A 89 -0.179 13.542 11.784 1.00 13.00 H new ATOM 0 HB3 LYS A 89 0.337 14.515 10.421 1.00 13.00 H new ATOM 0 HG2 LYS A 89 -1.741 15.747 10.412 1.00 41.55 H new ATOM 0 HG3 LYS A 89 -2.461 14.658 11.581 1.00 41.55 H new ATOM 0 HD2 LYS A 89 -0.705 15.344 13.244 1.00 10.42 H new ATOM 0 HD3 LYS A 89 -0.087 16.495 12.077 1.00 10.42 H new ATOM 0 HE2 LYS A 89 -1.590 17.617 13.649 1.00 5.10 H new ATOM 0 HE3 LYS A 89 -2.266 17.659 12.033 1.00 5.10 H new ATOM 0 HZ1 LYS A 89 -3.810 17.034 13.923 1.00 42.43 H new ATOM 0 HZ2 LYS A 89 -3.833 16.021 12.560 1.00 42.43 H new ATOM 0 HZ3 LYS A 89 -3.012 15.536 13.964 1.00 42.43 H new ATOM 1358 N TYR A 90 -2.660 13.806 8.222 1.00 53.23 N ATOM 1359 CA TYR A 90 -3.051 14.402 6.941 1.00 23.12 C ATOM 1360 C TYR A 90 -3.713 15.755 7.158 1.00 41.23 C ATOM 1361 O TYR A 90 -4.335 15.996 8.190 1.00 3.30 O ATOM 1362 CB TYR A 90 -4.030 13.509 6.152 1.00 21.25 C ATOM 1363 CG TYR A 90 -3.637 12.056 6.085 1.00 54.40 C ATOM 1364 CD1 TYR A 90 -2.533 11.648 5.347 1.00 40.12 C ATOM 1365 CD2 TYR A 90 -4.369 11.096 6.763 1.00 64.24 C ATOM 1366 CE1 TYR A 90 -2.174 10.322 5.290 1.00 14.54 C ATOM 1367 CE2 TYR A 90 -4.011 9.768 6.714 1.00 23.30 C ATOM 1368 CZ TYR A 90 -2.915 9.387 5.978 1.00 1.32 C ATOM 1369 OH TYR A 90 -2.551 8.067 5.936 1.00 12.34 O ATOM 0 H TYR A 90 -3.442 13.560 8.828 1.00 53.23 H new ATOM 0 HA TYR A 90 -2.133 14.512 6.364 1.00 23.12 H new ATOM 0 HB2 TYR A 90 -5.018 13.584 6.607 1.00 21.25 H new ATOM 0 HB3 TYR A 90 -4.117 13.896 5.137 1.00 21.25 H new ATOM 0 HD1 TYR A 90 -1.949 12.382 4.811 1.00 40.12 H new ATOM 0 HD2 TYR A 90 -5.233 11.394 7.338 1.00 64.24 H new ATOM 0 HE1 TYR A 90 -1.316 10.016 4.709 1.00 14.54 H new ATOM 0 HE2 TYR A 90 -4.588 9.030 7.251 1.00 23.30 H new ATOM 0 HH TYR A 90 -1.587 7.999 5.775 1.00 12.34 H new ATOM 1379 N LYS A 91 -3.564 16.631 6.181 1.00 24.13 N ATOM 1380 CA LYS A 91 -4.277 17.902 6.157 1.00 34.24 C ATOM 1381 C LYS A 91 -4.885 18.102 4.771 1.00 43.45 C ATOM 1382 O LYS A 91 -4.335 18.811 3.925 1.00 12.24 O ATOM 1383 CB LYS A 91 -3.349 19.089 6.567 1.00 31.30 C ATOM 1384 CG LYS A 91 -1.823 18.853 6.438 1.00 72.53 C ATOM 1385 CD LYS A 91 -1.315 18.820 4.992 1.00 35.33 C ATOM 1386 CE LYS A 91 -1.414 20.180 4.306 1.00 72.22 C ATOM 1387 NZ LYS A 91 -0.581 21.209 4.973 1.00 44.13 N ATOM 0 H LYS A 91 -2.947 16.485 5.382 1.00 24.13 H new ATOM 0 HA LYS A 91 -5.080 17.880 6.894 1.00 34.24 H new ATOM 0 HB2 LYS A 91 -3.613 19.954 5.958 1.00 31.30 H new ATOM 0 HB3 LYS A 91 -3.567 19.350 7.603 1.00 31.30 H new ATOM 0 HG2 LYS A 91 -1.297 19.640 6.979 1.00 72.53 H new ATOM 0 HG3 LYS A 91 -1.570 17.910 6.922 1.00 72.53 H new ATOM 0 HD2 LYS A 91 -0.277 18.487 4.983 1.00 35.33 H new ATOM 0 HD3 LYS A 91 -1.890 18.088 4.425 1.00 35.33 H new ATOM 0 HE2 LYS A 91 -1.104 20.083 3.266 1.00 72.22 H new ATOM 0 HE3 LYS A 91 -2.454 20.506 4.299 1.00 72.22 H new ATOM 0 HZ1 LYS A 91 -0.503 22.045 4.359 1.00 44.13 H new ATOM 0 HZ2 LYS A 91 -1.022 21.482 5.874 1.00 44.13 H new ATOM 0 HZ3 LYS A 91 0.368 20.823 5.155 1.00 44.13 H new ATOM 1401 N ASP A 92 -6.031 17.462 4.532 1.00 63.03 N ATOM 1402 CA ASP A 92 -6.574 17.328 3.186 1.00 33.33 C ATOM 1403 C ASP A 92 -8.019 16.833 3.256 1.00 1.03 C ATOM 1404 O ASP A 92 -8.477 16.414 4.324 1.00 75.35 O ATOM 1405 CB ASP A 92 -5.696 16.354 2.394 1.00 2.51 C ATOM 1406 CG ASP A 92 -6.062 16.201 0.932 1.00 2.44 C ATOM 1407 OD1 ASP A 92 -6.031 17.195 0.193 1.00 63.31 O ATOM 1408 OD2 ASP A 92 -6.370 15.068 0.524 1.00 41.21 O ATOM 0 H ASP A 92 -6.600 17.028 5.259 1.00 63.03 H new ATOM 0 HA ASP A 92 -6.575 18.295 2.682 1.00 33.33 H new ATOM 0 HB2 ASP A 92 -4.660 16.687 2.460 1.00 2.51 H new ATOM 0 HB3 ASP A 92 -5.747 15.375 2.870 1.00 2.51 H new ATOM 1413 N ASN A 93 -8.707 16.867 2.109 1.00 50.11 N ATOM 1414 CA ASN A 93 -10.018 16.247 1.914 1.00 70.44 C ATOM 1415 C ASN A 93 -9.976 14.729 2.174 1.00 41.00 C ATOM 1416 O ASN A 93 -10.917 14.172 2.744 1.00 63.13 O ATOM 1417 CB ASN A 93 -10.479 16.495 0.466 1.00 72.51 C ATOM 1418 CG ASN A 93 -11.859 15.938 0.150 1.00 41.34 C ATOM 1419 OD1 ASN A 93 -12.761 15.953 0.982 1.00 60.11 O ATOM 1420 ND2 ASN A 93 -12.030 15.437 -1.060 1.00 44.41 N ATOM 0 H ASN A 93 -8.358 17.337 1.274 1.00 50.11 H new ATOM 0 HA ASN A 93 -10.713 16.693 2.625 1.00 70.44 H new ATOM 0 HB2 ASN A 93 -10.480 17.568 0.275 1.00 72.51 H new ATOM 0 HB3 ASN A 93 -9.754 16.050 -0.216 1.00 72.51 H new ATOM 0 HD21 ASN A 93 -12.934 15.047 -1.327 1.00 44.41 H new ATOM 0 HD22 ASN A 93 -11.258 15.441 -1.727 1.00 44.41 H new ATOM 1427 N ASP A 94 -8.877 14.066 1.795 1.00 72.14 N ATOM 1428 CA ASP A 94 -8.836 12.617 1.817 1.00 51.40 C ATOM 1429 C ASP A 94 -7.637 12.121 2.606 1.00 11.40 C ATOM 1430 O ASP A 94 -7.801 11.335 3.539 1.00 32.44 O ATOM 1431 CB ASP A 94 -8.789 12.038 0.400 1.00 14.41 C ATOM 1432 CG ASP A 94 -9.432 10.668 0.326 1.00 23.12 C ATOM 1433 OD1 ASP A 94 -10.530 10.484 0.888 1.00 60.11 O ATOM 1434 OD2 ASP A 94 -8.843 9.767 -0.292 1.00 40.24 O ATOM 0 H ASP A 94 -8.018 14.513 1.474 1.00 72.14 H new ATOM 0 HA ASP A 94 -9.750 12.277 2.303 1.00 51.40 H new ATOM 0 HB2 ASP A 94 -9.298 12.715 -0.286 1.00 14.41 H new ATOM 0 HB3 ASP A 94 -7.752 11.970 0.070 1.00 14.41 H new ATOM 1439 N GLY A 95 -6.442 12.620 2.280 1.00 1.32 N ATOM 1440 CA GLY A 95 -5.249 12.052 2.865 1.00 20.12 C ATOM 1441 C GLY A 95 -3.940 12.527 2.259 1.00 23.02 C ATOM 1442 O GLY A 95 -3.039 11.727 2.070 1.00 10.43 O ATOM 0 H GLY A 95 -6.287 13.393 1.633 1.00 1.32 H new ATOM 0 HA2 GLY A 95 -5.242 12.282 3.930 1.00 20.12 H new ATOM 0 HA3 GLY A 95 -5.300 10.967 2.773 1.00 20.12 H new ATOM 1446 N HIS A 96 -3.803 13.810 1.987 1.00 3.30 N ATOM 1447 CA HIS A 96 -2.509 14.361 1.585 1.00 31.31 C ATOM 1448 C HIS A 96 -1.738 14.805 2.806 1.00 12.34 C ATOM 1449 O HIS A 96 -2.297 15.402 3.728 1.00 20.31 O ATOM 1450 CB HIS A 96 -2.643 15.535 0.609 1.00 50.04 C ATOM 1451 CG HIS A 96 -2.928 15.133 -0.807 1.00 14.11 C ATOM 1452 ND1 HIS A 96 -3.980 15.633 -1.535 1.00 41.40 N ATOM 1453 CD2 HIS A 96 -2.273 14.295 -1.633 1.00 72.10 C ATOM 1454 CE1 HIS A 96 -3.962 15.120 -2.746 1.00 12.43 C ATOM 1455 NE2 HIS A 96 -2.937 14.306 -2.836 1.00 75.21 N ATOM 0 H HIS A 96 -4.561 14.491 2.034 1.00 3.30 H new ATOM 0 HA HIS A 96 -1.972 13.567 1.066 1.00 31.31 H new ATOM 0 HB2 HIS A 96 -3.442 16.191 0.956 1.00 50.04 H new ATOM 0 HB3 HIS A 96 -1.721 16.117 0.630 1.00 50.04 H new ATOM 0 HD2 HIS A 96 -1.390 13.721 -1.394 1.00 72.10 H new ATOM 0 HE1 HIS A 96 -4.671 15.333 -3.533 1.00 12.43 H new ATOM 0 HE2 HIS A 96 -2.676 13.769 -3.663 1.00 75.21 H new ATOM 1464 N THR A 97 -0.460 14.512 2.799 1.00 20.34 N ATOM 1465 CA THR A 97 0.391 14.794 3.926 1.00 20.13 C ATOM 1466 C THR A 97 1.539 15.701 3.490 1.00 73.14 C ATOM 1467 O THR A 97 2.059 15.584 2.377 1.00 71.12 O ATOM 1468 CB THR A 97 0.890 13.479 4.604 1.00 31.45 C ATOM 1469 OG1 THR A 97 1.820 13.762 5.653 1.00 40.40 O ATOM 1470 CG2 THR A 97 1.517 12.506 3.610 1.00 43.13 C ATOM 0 H THR A 97 0.017 14.072 2.012 1.00 20.34 H new ATOM 0 HA THR A 97 -0.184 15.325 4.685 1.00 20.13 H new ATOM 0 HB THR A 97 0.006 12.999 5.024 1.00 31.45 H new ATOM 0 HG1 THR A 97 1.336 13.876 6.497 1.00 40.40 H new ATOM 0 HG21 THR A 97 1.846 11.610 4.136 1.00 43.13 H new ATOM 0 HG22 THR A 97 0.781 12.233 2.854 1.00 43.13 H new ATOM 0 HG23 THR A 97 2.373 12.979 3.129 1.00 43.13 H new ATOM 1478 N ASP A 98 1.884 16.641 4.360 1.00 55.10 N ATOM 1479 CA ASP A 98 2.950 17.599 4.085 1.00 22.00 C ATOM 1480 C ASP A 98 4.251 17.126 4.740 1.00 75.32 C ATOM 1481 O ASP A 98 5.338 17.637 4.448 1.00 33.44 O ATOM 1482 CB ASP A 98 2.546 18.988 4.598 1.00 52.04 C ATOM 1483 CG ASP A 98 3.424 20.098 4.056 1.00 64.02 C ATOM 1484 OD1 ASP A 98 3.365 20.362 2.844 1.00 60.23 O ATOM 1485 OD2 ASP A 98 4.149 20.729 4.845 1.00 65.52 O ATOM 0 H ASP A 98 1.438 16.762 5.269 1.00 55.10 H new ATOM 0 HA ASP A 98 3.113 17.667 3.009 1.00 22.00 H new ATOM 0 HB2 ASP A 98 1.510 19.184 4.322 1.00 52.04 H new ATOM 0 HB3 ASP A 98 2.592 18.995 5.687 1.00 52.04 H new ATOM 1490 N ALA A 99 4.117 16.124 5.619 1.00 42.53 N ATOM 1491 CA ALA A 99 5.255 15.483 6.257 1.00 14.14 C ATOM 1492 C ALA A 99 6.025 14.671 5.225 1.00 62.01 C ATOM 1493 O ALA A 99 7.238 14.815 5.095 1.00 30.20 O ATOM 1494 CB ALA A 99 4.791 14.603 7.408 1.00 23.41 C ATOM 0 H ALA A 99 3.215 15.742 5.902 1.00 42.53 H new ATOM 0 HA ALA A 99 5.917 16.246 6.667 1.00 14.14 H new ATOM 0 HB1 ALA A 99 5.655 14.130 7.875 1.00 23.41 H new ATOM 0 HB2 ALA A 99 4.268 15.213 8.145 1.00 23.41 H new ATOM 0 HB3 ALA A 99 4.117 13.834 7.030 1.00 23.41 H new ATOM 1500 N ILE A 100 5.302 13.837 4.476 1.00 44.10 N ATOM 1501 CA ILE A 100 5.874 13.149 3.325 1.00 65.22 C ATOM 1502 C ILE A 100 5.765 14.067 2.104 1.00 5.02 C ATOM 1503 O ILE A 100 4.763 14.050 1.376 1.00 30.33 O ATOM 1504 CB ILE A 100 5.174 11.792 3.035 1.00 20.44 C ATOM 1505 CG1 ILE A 100 5.052 10.968 4.324 1.00 44.52 C ATOM 1506 CG2 ILE A 100 5.955 11.003 1.981 1.00 51.23 C ATOM 1507 CD1 ILE A 100 4.117 9.782 4.210 1.00 72.21 C ATOM 0 H ILE A 100 4.320 13.624 4.648 1.00 44.10 H new ATOM 0 HA ILE A 100 6.917 12.923 3.547 1.00 65.22 H new ATOM 0 HB ILE A 100 4.174 11.995 2.651 1.00 20.44 H new ATOM 0 HG12 ILE A 100 6.041 10.611 4.610 1.00 44.52 H new ATOM 0 HG13 ILE A 100 4.703 11.617 5.127 1.00 44.52 H new ATOM 0 HG21 ILE A 100 5.452 10.055 1.789 1.00 51.23 H new ATOM 0 HG22 ILE A 100 6.006 11.580 1.058 1.00 51.23 H new ATOM 0 HG23 ILE A 100 6.964 10.811 2.344 1.00 51.23 H new ATOM 0 HD11 ILE A 100 4.085 9.251 5.161 1.00 72.21 H new ATOM 0 HD12 ILE A 100 3.116 10.131 3.955 1.00 72.21 H new ATOM 0 HD13 ILE A 100 4.476 9.109 3.431 1.00 72.21 H new ATOM 1519 N SER A 101 6.771 14.922 1.943 1.00 23.11 N ATOM 1520 CA SER A 101 6.813 15.862 0.840 1.00 34.23 C ATOM 1521 C SER A 101 7.286 15.153 -0.430 1.00 52.52 C ATOM 1522 O SER A 101 8.470 14.839 -0.595 1.00 14.43 O ATOM 1523 CB SER A 101 7.715 17.052 1.198 1.00 51.32 C ATOM 1524 OG SER A 101 7.549 18.133 0.295 1.00 33.10 O ATOM 0 H SER A 101 7.572 14.979 2.572 1.00 23.11 H new ATOM 0 HA SER A 101 5.812 16.251 0.651 1.00 34.23 H new ATOM 0 HB2 SER A 101 7.489 17.387 2.210 1.00 51.32 H new ATOM 0 HB3 SER A 101 8.757 16.732 1.193 1.00 51.32 H new ATOM 0 HG SER A 101 8.138 18.871 0.557 1.00 33.10 H new ATOM 1530 N GLY A 102 6.327 14.890 -1.303 1.00 63.43 N ATOM 1531 CA GLY A 102 6.567 14.116 -2.502 1.00 41.51 C ATOM 1532 C GLY A 102 5.403 13.190 -2.795 1.00 63.42 C ATOM 1533 O GLY A 102 5.311 12.615 -3.879 1.00 5.43 O ATOM 0 H GLY A 102 5.364 15.208 -1.197 1.00 63.43 H new ATOM 0 HA2 GLY A 102 6.724 14.787 -3.347 1.00 41.51 H new ATOM 0 HA3 GLY A 102 7.480 13.532 -2.385 1.00 41.51 H new ATOM 1537 N ALA A 103 4.517 13.035 -1.812 1.00 24.13 N ATOM 1538 CA ALA A 103 3.316 12.235 -1.970 1.00 34.21 C ATOM 1539 C ALA A 103 2.176 13.072 -2.547 1.00 42.15 C ATOM 1540 O ALA A 103 1.496 13.815 -1.832 1.00 72.03 O ATOM 1541 CB ALA A 103 2.920 11.632 -0.638 1.00 44.42 C ATOM 0 H ALA A 103 4.616 13.461 -0.890 1.00 24.13 H new ATOM 0 HA ALA A 103 3.524 11.428 -2.673 1.00 34.21 H new ATOM 0 HB1 ALA A 103 2.018 11.033 -0.764 1.00 44.42 H new ATOM 0 HB2 ALA A 103 3.728 10.999 -0.271 1.00 44.42 H new ATOM 0 HB3 ALA A 103 2.729 12.430 0.080 1.00 44.42 H new ATOM 1547 N THR A 104 1.995 12.971 -3.858 1.00 63.22 N ATOM 1548 CA THR A 104 0.951 13.713 -4.561 1.00 71.31 C ATOM 1549 C THR A 104 -0.353 12.915 -4.668 1.00 32.24 C ATOM 1550 O THR A 104 -1.367 13.423 -5.148 1.00 4.41 O ATOM 1551 CB THR A 104 1.431 14.124 -5.961 1.00 73.12 C ATOM 1552 OG1 THR A 104 2.131 13.033 -6.564 1.00 21.32 O ATOM 1553 CG2 THR A 104 2.340 15.336 -5.887 1.00 72.32 C ATOM 0 H THR A 104 2.563 12.377 -4.462 1.00 63.22 H new ATOM 0 HA THR A 104 0.744 14.607 -3.973 1.00 71.31 H new ATOM 0 HB THR A 104 0.561 14.384 -6.564 1.00 73.12 H new ATOM 0 HG1 THR A 104 2.436 13.294 -7.458 1.00 21.32 H new ATOM 0 HG21 THR A 104 2.667 15.608 -6.891 1.00 72.32 H new ATOM 0 HG22 THR A 104 1.798 16.171 -5.444 1.00 72.32 H new ATOM 0 HG23 THR A 104 3.210 15.102 -5.273 1.00 72.32 H new ATOM 1561 N ILE A 105 -0.305 11.662 -4.239 1.00 3.41 N ATOM 1562 CA ILE A 105 -1.490 10.830 -4.107 1.00 11.53 C ATOM 1563 C ILE A 105 -1.882 10.781 -2.614 1.00 64.11 C ATOM 1564 O ILE A 105 -1.032 11.015 -1.743 1.00 52.11 O ATOM 1565 CB ILE A 105 -1.194 9.418 -4.736 1.00 32.52 C ATOM 1566 CG1 ILE A 105 -2.481 8.637 -5.131 1.00 4.24 C ATOM 1567 CG2 ILE A 105 -0.269 8.580 -3.847 1.00 34.21 C ATOM 1568 CD1 ILE A 105 -3.133 7.801 -4.042 1.00 1.35 C ATOM 0 H ILE A 105 0.561 11.193 -3.972 1.00 3.41 H new ATOM 0 HA ILE A 105 -2.344 11.236 -4.650 1.00 11.53 H new ATOM 0 HB ILE A 105 -0.665 9.613 -5.669 1.00 32.52 H new ATOM 0 HG12 ILE A 105 -3.216 9.355 -5.495 1.00 4.24 H new ATOM 0 HG13 ILE A 105 -2.237 7.979 -5.965 1.00 4.24 H new ATOM 0 HG21 ILE A 105 -0.090 7.613 -4.317 1.00 34.21 H new ATOM 0 HG22 ILE A 105 0.679 9.101 -3.716 1.00 34.21 H new ATOM 0 HG23 ILE A 105 -0.738 8.429 -2.875 1.00 34.21 H new ATOM 0 HD11 ILE A 105 -4.018 7.308 -4.443 1.00 1.35 H new ATOM 0 HD12 ILE A 105 -2.427 7.049 -3.689 1.00 1.35 H new ATOM 0 HD13 ILE A 105 -3.421 8.446 -3.212 1.00 1.35 H new ATOM 1580 N LYS A 106 -3.170 10.566 -2.330 1.00 2.03 N ATOM 1581 CA LYS A 106 -3.659 10.418 -0.964 1.00 54.24 C ATOM 1582 C LYS A 106 -3.141 9.134 -0.299 1.00 41.43 C ATOM 1583 O LYS A 106 -3.473 8.010 -0.676 1.00 72.34 O ATOM 1584 CB LYS A 106 -5.200 10.519 -0.870 1.00 44.44 C ATOM 1585 CG LYS A 106 -6.011 9.732 -1.906 1.00 21.33 C ATOM 1586 CD LYS A 106 -6.170 10.503 -3.214 1.00 74.42 C ATOM 1587 CE LYS A 106 -7.421 10.098 -3.963 1.00 75.22 C ATOM 1588 NZ LYS A 106 -8.647 10.523 -3.236 1.00 0.54 N ATOM 0 H LYS A 106 -3.898 10.491 -3.041 1.00 2.03 H new ATOM 0 HA LYS A 106 -3.251 11.261 -0.406 1.00 54.24 H new ATOM 0 HB2 LYS A 106 -5.502 10.185 0.122 1.00 44.44 H new ATOM 0 HB3 LYS A 106 -5.477 11.570 -0.950 1.00 44.44 H new ATOM 0 HG2 LYS A 106 -5.519 8.780 -2.104 1.00 21.33 H new ATOM 0 HG3 LYS A 106 -6.996 9.503 -1.498 1.00 21.33 H new ATOM 0 HD2 LYS A 106 -6.204 11.572 -3.003 1.00 74.42 H new ATOM 0 HD3 LYS A 106 -5.298 10.330 -3.845 1.00 74.42 H new ATOM 0 HE2 LYS A 106 -7.412 10.544 -4.958 1.00 75.22 H new ATOM 0 HE3 LYS A 106 -7.432 9.017 -4.099 1.00 75.22 H new ATOM 0 HZ1 LYS A 106 -9.481 10.354 -3.834 1.00 0.54 H new ATOM 0 HZ2 LYS A 106 -8.736 9.976 -2.356 1.00 0.54 H new ATOM 0 HZ3 LYS A 106 -8.583 11.536 -3.010 1.00 0.54 H new ATOM 1602 N VAL A 107 -2.355 9.364 0.745 1.00 33.10 N ATOM 1603 CA VAL A 107 -1.622 8.347 1.496 1.00 51.33 C ATOM 1604 C VAL A 107 -2.528 7.658 2.540 1.00 13.34 C ATOM 1605 O VAL A 107 -2.127 6.676 3.179 1.00 41.14 O ATOM 1606 CB VAL A 107 -0.392 9.033 2.176 1.00 4.11 C ATOM 1607 CG1 VAL A 107 0.494 8.078 2.937 1.00 31.12 C ATOM 1608 CG2 VAL A 107 0.453 9.731 1.142 1.00 4.50 C ATOM 0 H VAL A 107 -2.203 10.305 1.109 1.00 33.10 H new ATOM 0 HA VAL A 107 -1.279 7.565 0.818 1.00 51.33 H new ATOM 0 HB VAL A 107 -0.812 9.739 2.892 1.00 4.11 H new ATOM 0 HG11 VAL A 107 1.325 8.627 3.380 1.00 31.12 H new ATOM 0 HG12 VAL A 107 -0.084 7.595 3.725 1.00 31.12 H new ATOM 0 HG13 VAL A 107 0.882 7.320 2.256 1.00 31.12 H new ATOM 0 HG21 VAL A 107 1.306 10.204 1.628 1.00 4.50 H new ATOM 0 HG22 VAL A 107 0.809 9.004 0.412 1.00 4.50 H new ATOM 0 HG23 VAL A 107 -0.144 10.490 0.637 1.00 4.50 H new ATOM 1618 N LYS A 108 -3.778 8.150 2.666 1.00 54.35 N ATOM 1619 CA LYS A 108 -4.753 7.608 3.623 1.00 41.05 C ATOM 1620 C LYS A 108 -4.984 6.117 3.417 1.00 10.45 C ATOM 1621 O LYS A 108 -5.105 5.380 4.380 1.00 1.24 O ATOM 1622 CB LYS A 108 -6.082 8.402 3.591 1.00 52.12 C ATOM 1623 CG LYS A 108 -6.797 8.506 2.229 1.00 33.04 C ATOM 1624 CD LYS A 108 -7.736 7.328 1.940 1.00 14.52 C ATOM 1625 CE LYS A 108 -8.829 7.170 2.994 1.00 72.24 C ATOM 1626 NZ LYS A 108 -9.877 8.214 2.877 1.00 31.22 N ATOM 0 H LYS A 108 -4.134 8.928 2.110 1.00 54.35 H new ATOM 0 HA LYS A 108 -4.326 7.728 4.618 1.00 41.05 H new ATOM 0 HB2 LYS A 108 -6.769 7.943 4.301 1.00 52.12 H new ATOM 0 HB3 LYS A 108 -5.883 9.412 3.948 1.00 52.12 H new ATOM 0 HG2 LYS A 108 -7.370 9.433 2.198 1.00 33.04 H new ATOM 0 HG3 LYS A 108 -6.049 8.567 1.438 1.00 33.04 H new ATOM 0 HD2 LYS A 108 -8.198 7.469 0.963 1.00 14.52 H new ATOM 0 HD3 LYS A 108 -7.153 6.409 1.888 1.00 14.52 H new ATOM 0 HE2 LYS A 108 -9.287 6.186 2.895 1.00 72.24 H new ATOM 0 HE3 LYS A 108 -8.383 7.216 3.987 1.00 72.24 H new ATOM 0 HZ1 LYS A 108 -10.799 7.811 3.140 1.00 31.22 H new ATOM 0 HZ2 LYS A 108 -9.651 9.006 3.512 1.00 31.22 H new ATOM 0 HZ3 LYS A 108 -9.917 8.558 1.896 1.00 31.22 H new ATOM 1640 N LYS A 109 -4.943 5.695 2.153 1.00 52.43 N ATOM 1641 CA LYS A 109 -5.210 4.330 1.771 1.00 23.14 C ATOM 1642 C LYS A 109 -4.049 3.406 2.146 1.00 13.51 C ATOM 1643 O LYS A 109 -4.275 2.278 2.560 1.00 63.32 O ATOM 1644 CB LYS A 109 -5.473 4.295 0.269 1.00 62.13 C ATOM 1645 CG LYS A 109 -5.976 2.964 -0.219 1.00 3.32 C ATOM 1646 CD LYS A 109 -7.385 2.672 0.267 1.00 65.43 C ATOM 1647 CE LYS A 109 -8.395 2.880 -0.839 1.00 25.33 C ATOM 1648 NZ LYS A 109 -8.033 2.102 -2.049 1.00 43.11 N ATOM 0 H LYS A 109 -4.720 6.306 1.367 1.00 52.43 H new ATOM 0 HA LYS A 109 -6.085 3.967 2.310 1.00 23.14 H new ATOM 0 HB2 LYS A 109 -6.202 5.065 0.017 1.00 62.13 H new ATOM 0 HB3 LYS A 109 -4.552 4.543 -0.259 1.00 62.13 H new ATOM 0 HG2 LYS A 109 -5.958 2.948 -1.309 1.00 3.32 H new ATOM 0 HG3 LYS A 109 -5.305 2.176 0.122 1.00 3.32 H new ATOM 0 HD2 LYS A 109 -7.443 1.645 0.629 1.00 65.43 H new ATOM 0 HD3 LYS A 109 -7.624 3.321 1.109 1.00 65.43 H new ATOM 0 HE2 LYS A 109 -9.384 2.580 -0.493 1.00 25.33 H new ATOM 0 HE3 LYS A 109 -8.452 3.940 -1.088 1.00 25.33 H new ATOM 0 HZ1 LYS A 109 -8.899 1.794 -2.536 1.00 43.11 H new ATOM 0 HZ2 LYS A 109 -7.469 2.697 -2.689 1.00 43.11 H new ATOM 0 HZ3 LYS A 109 -7.477 1.268 -1.772 1.00 43.11 H new ATOM 1662 N PHE A 110 -2.820 3.921 2.032 1.00 74.03 N ATOM 1663 CA PHE A 110 -1.611 3.168 2.359 1.00 40.31 C ATOM 1664 C PHE A 110 -1.586 2.798 3.840 1.00 54.10 C ATOM 1665 O PHE A 110 -1.334 1.649 4.183 1.00 73.40 O ATOM 1666 CB PHE A 110 -0.355 3.981 1.970 1.00 2.15 C ATOM 1667 CG PHE A 110 0.952 3.353 2.381 1.00 73.35 C ATOM 1668 CD1 PHE A 110 1.504 2.311 1.656 1.00 61.41 C ATOM 1669 CD2 PHE A 110 1.611 3.795 3.513 1.00 44.02 C ATOM 1670 CE1 PHE A 110 2.688 1.721 2.061 1.00 3.14 C ATOM 1671 CE2 PHE A 110 2.793 3.219 3.919 1.00 51.34 C ATOM 1672 CZ PHE A 110 3.331 2.177 3.196 1.00 22.12 C ATOM 0 H PHE A 110 -2.639 4.872 1.710 1.00 74.03 H new ATOM 0 HA PHE A 110 -1.613 2.241 1.785 1.00 40.31 H new ATOM 0 HB2 PHE A 110 -0.351 4.123 0.889 1.00 2.15 H new ATOM 0 HB3 PHE A 110 -0.425 4.971 2.421 1.00 2.15 H new ATOM 0 HD1 PHE A 110 1.006 1.955 0.766 1.00 61.41 H new ATOM 0 HD2 PHE A 110 1.191 4.606 4.089 1.00 44.02 H new ATOM 0 HE1 PHE A 110 3.109 0.906 1.491 1.00 3.14 H new ATOM 0 HE2 PHE A 110 3.297 3.583 4.802 1.00 51.34 H new ATOM 0 HZ PHE A 110 4.254 1.717 3.516 1.00 22.12 H new ATOM 1682 N PHE A 111 -1.864 3.773 4.701 1.00 24.52 N ATOM 1683 CA PHE A 111 -1.837 3.545 6.137 1.00 64.12 C ATOM 1684 C PHE A 111 -3.073 2.805 6.634 1.00 12.54 C ATOM 1685 O PHE A 111 -2.979 2.077 7.607 1.00 12.55 O ATOM 1686 CB PHE A 111 -1.624 4.853 6.894 1.00 1.11 C ATOM 1687 CG PHE A 111 -0.187 5.301 6.893 1.00 72.24 C ATOM 1688 CD1 PHE A 111 0.698 4.820 7.841 1.00 10.44 C ATOM 1689 CD2 PHE A 111 0.285 6.188 5.945 1.00 12.41 C ATOM 1690 CE1 PHE A 111 2.017 5.220 7.850 1.00 14.41 C ATOM 1691 CE2 PHE A 111 1.606 6.592 5.950 1.00 10.35 C ATOM 1692 CZ PHE A 111 2.471 6.103 6.900 1.00 73.12 C ATOM 0 H PHE A 111 -2.109 4.725 4.428 1.00 24.52 H new ATOM 0 HA PHE A 111 -0.987 2.894 6.341 1.00 64.12 H new ATOM 0 HB2 PHE A 111 -2.243 5.631 6.447 1.00 1.11 H new ATOM 0 HB3 PHE A 111 -1.961 4.731 7.923 1.00 1.11 H new ATOM 0 HD1 PHE A 111 0.350 4.120 8.586 1.00 10.44 H new ATOM 0 HD2 PHE A 111 -0.387 6.570 5.191 1.00 12.41 H new ATOM 0 HE1 PHE A 111 2.692 4.840 8.602 1.00 14.41 H new ATOM 0 HE2 PHE A 111 1.959 7.292 5.207 1.00 10.35 H new ATOM 0 HZ PHE A 111 3.506 6.412 6.900 1.00 73.12 H new ATOM 1702 N ASP A 112 -4.210 2.950 5.943 1.00 1.34 N ATOM 1703 CA ASP A 112 -5.422 2.194 6.283 1.00 30.53 C ATOM 1704 C ASP A 112 -5.236 0.708 6.020 1.00 3.20 C ATOM 1705 O ASP A 112 -5.604 -0.119 6.848 1.00 73.32 O ATOM 1706 CB ASP A 112 -6.642 2.682 5.497 1.00 25.10 C ATOM 1707 CG ASP A 112 -7.457 3.709 6.251 1.00 53.45 C ATOM 1708 OD1 ASP A 112 -7.918 3.397 7.364 1.00 12.44 O ATOM 1709 OD2 ASP A 112 -7.653 4.822 5.726 1.00 55.44 O ATOM 0 H ASP A 112 -4.316 3.581 5.149 1.00 1.34 H new ATOM 0 HA ASP A 112 -5.597 2.360 7.346 1.00 30.53 H new ATOM 0 HB2 ASP A 112 -6.310 3.112 4.552 1.00 25.10 H new ATOM 0 HB3 ASP A 112 -7.276 1.829 5.255 1.00 25.10 H new ATOM 1714 N LEU A 113 -4.627 0.393 4.876 1.00 40.44 N ATOM 1715 CA LEU A 113 -4.396 -0.988 4.456 1.00 5.11 C ATOM 1716 C LEU A 113 -3.230 -1.625 5.214 1.00 3.00 C ATOM 1717 O LEU A 113 -3.194 -2.835 5.379 1.00 74.20 O ATOM 1718 CB LEU A 113 -4.142 -1.051 2.943 1.00 20.12 C ATOM 1719 CG LEU A 113 -5.361 -1.274 2.032 1.00 43.25 C ATOM 1720 CD1 LEU A 113 -5.939 -2.630 2.292 1.00 14.52 C ATOM 1721 CD2 LEU A 113 -6.438 -0.223 2.225 1.00 62.32 C ATOM 0 H LEU A 113 -4.280 1.089 4.215 1.00 40.44 H new ATOM 0 HA LEU A 113 -5.295 -1.557 4.693 1.00 5.11 H new ATOM 0 HB2 LEU A 113 -3.662 -0.120 2.642 1.00 20.12 H new ATOM 0 HB3 LEU A 113 -3.428 -1.853 2.754 1.00 20.12 H new ATOM 0 HG LEU A 113 -5.011 -1.195 1.003 1.00 43.25 H new ATOM 0 HD11 LEU A 113 -6.803 -2.787 1.646 1.00 14.52 H new ATOM 0 HD12 LEU A 113 -5.187 -3.392 2.085 1.00 14.52 H new ATOM 0 HD13 LEU A 113 -6.248 -2.700 3.335 1.00 14.52 H new ATOM 0 HD21 LEU A 113 -7.273 -0.431 1.556 1.00 62.32 H new ATOM 0 HD22 LEU A 113 -6.786 -0.244 3.258 1.00 62.32 H new ATOM 0 HD23 LEU A 113 -6.030 0.762 2.000 1.00 62.32 H new ATOM 1733 N ALA A 114 -2.277 -0.803 5.659 1.00 22.15 N ATOM 1734 CA ALA A 114 -1.191 -1.263 6.528 1.00 10.23 C ATOM 1735 C ALA A 114 -1.710 -1.662 7.916 1.00 33.22 C ATOM 1736 O ALA A 114 -1.204 -2.609 8.522 1.00 11.12 O ATOM 1737 CB ALA A 114 -0.128 -0.187 6.645 1.00 40.42 C ATOM 0 H ALA A 114 -2.236 0.190 5.430 1.00 22.15 H new ATOM 0 HA ALA A 114 -0.750 -2.151 6.076 1.00 10.23 H new ATOM 0 HB1 ALA A 114 0.675 -0.538 7.293 1.00 40.42 H new ATOM 0 HB2 ALA A 114 0.274 0.036 5.657 1.00 40.42 H new ATOM 0 HB3 ALA A 114 -0.569 0.715 7.070 1.00 40.42 H new ATOM 1743 N GLN A 115 -2.739 -0.944 8.392 1.00 33.42 N ATOM 1744 CA GLN A 115 -3.416 -1.262 9.660 1.00 52.23 C ATOM 1745 C GLN A 115 -4.203 -2.565 9.558 1.00 32.33 C ATOM 1746 O GLN A 115 -4.300 -3.312 10.527 1.00 1.15 O ATOM 1747 CB GLN A 115 -4.366 -0.133 10.059 1.00 63.33 C ATOM 1748 CG GLN A 115 -3.661 1.102 10.576 1.00 75.24 C ATOM 1749 CD GLN A 115 -4.606 2.256 10.823 1.00 11.23 C ATOM 1750 OE1 GLN A 115 -5.168 2.388 11.907 1.00 60.02 O ATOM 1751 NE2 GLN A 115 -4.761 3.123 9.837 1.00 23.14 N ATOM 0 H GLN A 115 -3.124 -0.131 7.912 1.00 33.42 H new ATOM 0 HA GLN A 115 -2.644 -1.377 10.421 1.00 52.23 H new ATOM 0 HB2 GLN A 115 -4.973 0.141 9.196 1.00 63.33 H new ATOM 0 HB3 GLN A 115 -5.049 -0.499 10.826 1.00 63.33 H new ATOM 0 HG2 GLN A 115 -3.143 0.858 11.503 1.00 75.24 H new ATOM 0 HG3 GLN A 115 -2.901 1.408 9.858 1.00 75.24 H new ATOM 0 HE21 GLN A 115 -4.277 2.979 8.951 1.00 23.14 H new ATOM 0 HE22 GLN A 115 -5.364 3.936 9.963 1.00 23.14 H new ATOM 1760 N LYS A 116 -4.746 -2.825 8.367 1.00 4.11 N ATOM 1761 CA LYS A 116 -5.507 -4.039 8.075 1.00 1.11 C ATOM 1762 C LYS A 116 -4.592 -5.264 7.937 1.00 41.45 C ATOM 1763 O LYS A 116 -5.024 -6.393 8.153 1.00 30.24 O ATOM 1764 CB LYS A 116 -6.316 -3.841 6.791 1.00 23.54 C ATOM 1765 CG LYS A 116 -7.456 -2.841 6.917 1.00 53.22 C ATOM 1766 CD LYS A 116 -7.972 -2.375 5.556 1.00 41.53 C ATOM 1767 CE LYS A 116 -8.576 -3.503 4.722 1.00 11.54 C ATOM 1768 NZ LYS A 116 -9.824 -4.040 5.316 1.00 41.12 N ATOM 0 H LYS A 116 -4.668 -2.192 7.571 1.00 4.11 H new ATOM 0 HA LYS A 116 -6.181 -4.224 8.911 1.00 1.11 H new ATOM 0 HB2 LYS A 116 -5.644 -3.510 5.999 1.00 23.54 H new ATOM 0 HB3 LYS A 116 -6.725 -4.803 6.481 1.00 23.54 H new ATOM 0 HG2 LYS A 116 -8.274 -3.294 7.477 1.00 53.22 H new ATOM 0 HG3 LYS A 116 -7.117 -1.978 7.490 1.00 53.22 H new ATOM 0 HD2 LYS A 116 -8.724 -1.600 5.706 1.00 41.53 H new ATOM 0 HD3 LYS A 116 -7.152 -1.920 5.000 1.00 41.53 H new ATOM 0 HE2 LYS A 116 -8.784 -3.137 3.717 1.00 11.54 H new ATOM 0 HE3 LYS A 116 -7.848 -4.308 4.624 1.00 11.54 H new ATOM 0 HZ1 LYS A 116 -10.222 -4.767 4.688 1.00 41.12 H new ATOM 0 HZ2 LYS A 116 -9.614 -4.461 6.244 1.00 41.12 H new ATOM 0 HZ3 LYS A 116 -10.512 -3.269 5.433 1.00 41.12 H new ATOM 1782 N ALA A 117 -3.338 -5.034 7.539 1.00 61.43 N ATOM 1783 CA ALA A 117 -2.366 -6.110 7.338 1.00 50.52 C ATOM 1784 C ALA A 117 -1.886 -6.702 8.658 1.00 22.00 C ATOM 1785 O ALA A 117 -1.686 -7.906 8.776 1.00 2.34 O ATOM 1786 CB ALA A 117 -1.176 -5.598 6.538 1.00 53.33 C ATOM 0 H ALA A 117 -2.970 -4.102 7.348 1.00 61.43 H new ATOM 0 HA ALA A 117 -2.868 -6.903 6.783 1.00 50.52 H new ATOM 0 HB1 ALA A 117 -0.459 -6.406 6.394 1.00 53.33 H new ATOM 0 HB2 ALA A 117 -1.518 -5.239 5.567 1.00 53.33 H new ATOM 0 HB3 ALA A 117 -0.698 -4.781 7.079 1.00 53.33 H new ATOM 1792 N LEU A 118 -1.721 -5.850 9.654 1.00 11.41 N ATOM 1793 CA LEU A 118 -1.090 -6.244 10.906 1.00 11.42 C ATOM 1794 C LEU A 118 -2.077 -6.269 12.072 1.00 52.32 C ATOM 1795 O LEU A 118 -1.668 -6.378 13.227 1.00 31.55 O ATOM 1796 CB LEU A 118 0.033 -5.263 11.180 1.00 64.13 C ATOM 1797 CG LEU A 118 1.032 -5.146 10.045 1.00 62.10 C ATOM 1798 CD1 LEU A 118 1.669 -3.793 10.070 1.00 42.24 C ATOM 1799 CD2 LEU A 118 2.076 -6.232 10.140 1.00 20.40 C ATOM 0 H LEU A 118 -2.016 -4.874 9.622 1.00 11.41 H new ATOM 0 HA LEU A 118 -0.708 -7.260 10.811 1.00 11.42 H new ATOM 0 HB2 LEU A 118 -0.395 -4.280 11.378 1.00 64.13 H new ATOM 0 HB3 LEU A 118 0.559 -5.570 12.084 1.00 64.13 H new ATOM 0 HG LEU A 118 0.507 -5.270 9.098 1.00 62.10 H new ATOM 0 HD11 LEU A 118 2.386 -3.713 9.253 1.00 42.24 H new ATOM 0 HD12 LEU A 118 0.902 -3.027 9.955 1.00 42.24 H new ATOM 0 HD13 LEU A 118 2.184 -3.651 11.020 1.00 42.24 H new ATOM 0 HD21 LEU A 118 2.783 -6.130 9.317 1.00 20.40 H new ATOM 0 HD22 LEU A 118 2.607 -6.144 11.088 1.00 20.40 H new ATOM 0 HD23 LEU A 118 1.593 -7.207 10.085 1.00 20.40 H new ATOM 1811 N LYS A 119 -3.369 -6.176 11.752 1.00 40.44 N ATOM 1812 CA LYS A 119 -4.449 -6.114 12.760 1.00 53.43 C ATOM 1813 C LYS A 119 -4.523 -7.365 13.648 1.00 4.30 C ATOM 1814 O LYS A 119 -4.780 -7.264 14.845 1.00 60.22 O ATOM 1815 CB LYS A 119 -5.802 -5.864 12.070 1.00 32.24 C ATOM 1816 CG LYS A 119 -6.228 -6.957 11.091 1.00 0.02 C ATOM 1817 CD LYS A 119 -7.561 -6.661 10.427 1.00 62.42 C ATOM 1818 CE LYS A 119 -8.749 -6.862 11.364 1.00 13.21 C ATOM 1819 NZ LYS A 119 -8.999 -8.301 11.658 1.00 2.24 N ATOM 0 H LYS A 119 -3.704 -6.141 10.789 1.00 40.44 H new ATOM 0 HA LYS A 119 -4.213 -5.281 13.422 1.00 53.43 H new ATOM 0 HB2 LYS A 119 -6.571 -5.760 12.835 1.00 32.24 H new ATOM 0 HB3 LYS A 119 -5.753 -4.915 11.536 1.00 32.24 H new ATOM 0 HG2 LYS A 119 -5.462 -7.071 10.324 1.00 0.02 H new ATOM 0 HG3 LYS A 119 -6.293 -7.908 11.620 1.00 0.02 H new ATOM 0 HD2 LYS A 119 -7.560 -5.633 10.065 1.00 62.42 H new ATOM 0 HD3 LYS A 119 -7.678 -7.306 9.556 1.00 62.42 H new ATOM 0 HE2 LYS A 119 -8.567 -6.329 12.297 1.00 13.21 H new ATOM 0 HE3 LYS A 119 -9.641 -6.425 10.915 1.00 13.21 H new ATOM 0 HZ1 LYS A 119 -9.843 -8.619 11.141 1.00 2.24 H new ATOM 0 HZ2 LYS A 119 -8.177 -8.864 11.359 1.00 2.24 H new ATOM 0 HZ3 LYS A 119 -9.151 -8.425 12.679 1.00 2.24 H new ATOM 1833 N ASP A 120 -4.270 -8.532 13.060 1.00 71.42 N ATOM 1834 CA ASP A 120 -4.344 -9.795 13.790 1.00 73.25 C ATOM 1835 C ASP A 120 -2.955 -10.338 14.076 1.00 43.45 C ATOM 1836 O ASP A 120 -2.793 -11.181 14.959 1.00 45.51 O ATOM 1837 CB ASP A 120 -5.106 -10.850 12.979 1.00 23.23 C ATOM 1838 CG ASP A 120 -6.493 -10.424 12.582 1.00 24.32 C ATOM 1839 OD1 ASP A 120 -7.322 -10.153 13.470 1.00 22.33 O ATOM 1840 OD2 ASP A 120 -6.756 -10.343 11.375 1.00 60.42 O ATOM 0 H ASP A 120 -4.011 -8.629 12.078 1.00 71.42 H new ATOM 0 HA ASP A 120 -4.866 -9.594 14.726 1.00 73.25 H new ATOM 0 HB2 ASP A 120 -4.537 -11.085 12.080 1.00 23.23 H new ATOM 0 HB3 ASP A 120 -5.171 -11.768 13.564 1.00 23.23 H new ATOM 1845 N ALA A 121 -1.972 -9.833 13.306 1.00 10.43 N ATOM 1846 CA ALA A 121 -0.629 -10.423 13.178 1.00 31.10 C ATOM 1847 C ALA A 121 -0.703 -11.897 12.726 1.00 70.03 C ATOM 1848 O ALA A 121 0.134 -12.728 13.090 1.00 22.40 O ATOM 1849 CB ALA A 121 0.208 -10.240 14.445 1.00 33.34 C ATOM 0 H ALA A 121 -2.093 -8.989 12.746 1.00 10.43 H new ATOM 0 HA ALA A 121 -0.108 -9.875 12.393 1.00 31.10 H new ATOM 0 HB1 ALA A 121 1.189 -10.692 14.301 1.00 33.34 H new ATOM 0 HB2 ALA A 121 0.325 -9.177 14.653 1.00 33.34 H new ATOM 0 HB3 ALA A 121 -0.293 -10.721 15.285 1.00 33.34 H new ATOM 1855 N GLU A 122 -1.673 -12.168 11.846 1.00 21.12 N ATOM 1856 CA GLU A 122 -1.954 -13.519 11.346 1.00 13.13 C ATOM 1857 C GLU A 122 -1.988 -13.566 9.817 1.00 50.22 C ATOM 1858 O GLU A 122 -2.152 -14.638 9.230 1.00 54.31 O ATOM 1859 CB GLU A 122 -3.308 -14.004 11.879 1.00 73.01 C ATOM 1860 CG GLU A 122 -3.330 -14.337 13.358 1.00 62.24 C ATOM 1861 CD GLU A 122 -2.524 -15.569 13.675 1.00 61.23 C ATOM 1862 OE1 GLU A 122 -3.061 -16.689 13.556 1.00 41.43 O ATOM 1863 OE2 GLU A 122 -1.341 -15.433 14.027 1.00 61.00 O ATOM 0 H GLU A 122 -2.289 -11.453 11.458 1.00 21.12 H new ATOM 0 HA GLU A 122 -1.150 -14.166 11.697 1.00 13.13 H new ATOM 0 HB2 GLU A 122 -4.055 -13.235 11.683 1.00 73.01 H new ATOM 0 HB3 GLU A 122 -3.607 -14.889 11.318 1.00 73.01 H new ATOM 0 HG2 GLU A 122 -2.938 -13.493 13.925 1.00 62.24 H new ATOM 0 HG3 GLU A 122 -4.361 -14.486 13.680 1.00 62.24 H new ATOM 1870 N LYS A 123 -1.858 -12.404 9.179 1.00 42.01 N ATOM 1871 CA LYS A 123 -1.934 -12.313 7.718 1.00 12.22 C ATOM 1872 C LYS A 123 -0.668 -12.855 7.056 1.00 62.14 C ATOM 1873 O LYS A 123 0.449 -12.526 7.460 1.00 71.55 O ATOM 1874 CB LYS A 123 -2.171 -10.871 7.249 1.00 34.14 C ATOM 1875 CG LYS A 123 -3.635 -10.438 7.192 1.00 43.35 C ATOM 1876 CD LYS A 123 -4.215 -10.065 8.550 1.00 64.22 C ATOM 1877 CE LYS A 123 -5.680 -9.680 8.436 1.00 22.45 C ATOM 1878 NZ LYS A 123 -6.547 -10.842 8.117 1.00 23.11 N ATOM 0 H LYS A 123 -1.700 -11.512 9.648 1.00 42.01 H new ATOM 0 HA LYS A 123 -2.784 -12.925 7.416 1.00 12.22 H new ATOM 0 HB2 LYS A 123 -1.635 -10.196 7.916 1.00 34.14 H new ATOM 0 HB3 LYS A 123 -1.735 -10.752 6.257 1.00 34.14 H new ATOM 0 HG2 LYS A 123 -3.727 -9.584 6.521 1.00 43.35 H new ATOM 0 HG3 LYS A 123 -4.228 -11.246 6.763 1.00 43.35 H new ATOM 0 HD2 LYS A 123 -4.110 -10.905 9.236 1.00 64.22 H new ATOM 0 HD3 LYS A 123 -3.650 -9.235 8.974 1.00 64.22 H new ATOM 0 HE2 LYS A 123 -6.009 -9.231 9.373 1.00 22.45 H new ATOM 0 HE3 LYS A 123 -5.794 -8.921 7.662 1.00 22.45 H new ATOM 0 HZ1 LYS A 123 -7.546 -10.563 8.199 1.00 23.11 H new ATOM 0 HZ2 LYS A 123 -6.356 -11.162 7.146 1.00 23.11 H new ATOM 0 HZ3 LYS A 123 -6.348 -11.617 8.782 1.00 23.11 H new